--- Opening Log file [October 10 02:05:33] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6


[02:05:33] - Ask before connecting: No
[02:05:33] - User name: Anonymous (Team 0)
[02:05:33] - User ID: 1DDCAA6700E9A5D3
[02:05:33] - Machine ID: 1
[02:05:33] 
[02:05:34] Loaded queue successfully.
[02:05:34] - Preparing to get new work unit...
[02:05:34] + Attempting to get work packet
[02:05:34] - Connecting to assignment server
[02:05:34] + Could not connect to Assignment Server
[02:05:34] + Could not connect to Assignment Server 2
[02:05:34] + Couldn't get work instructions.
[02:05:34] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[02:05:42] + Attempting to get work packet
[02:05:42] - Connecting to assignment server
[02:05:42] + Could not connect to Assignment Server
[02:05:42] + Could not connect to Assignment Server 2
[02:05:42] + Couldn't get work instructions.
[02:05:42] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.


--- Opening Log file [October 13 15:12:04] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6


[15:12:04] - Ask before connecting: No
[15:12:04] - User name: Anonymous (Team 0)
[15:12:04] - User ID: 1DDCAA6700E9A5D3
[15:12:04] - Machine ID: 1
[15:12:04] 
[15:12:04] Loaded queue successfully.
[15:12:04] - Preparing to get new work unit...
[15:12:04] + Attempting to get work packet
[15:12:04] - Connecting to assignment server
[15:12:04] + Could not connect to Assignment Server
[15:12:04] + Could not connect to Assignment Server 2
[15:12:04] + Couldn't get work instructions.
[15:12:04] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:17] + Attempting to get work packet
[15:12:17] - Connecting to assignment server
[15:12:17] + Could not connect to Assignment Server
[15:12:17] + Could not connect to Assignment Server 2
[15:12:17] + Couldn't get work instructions.
[15:12:17] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:35] + Attempting to get work packet
[15:12:35] - Connecting to assignment server
[15:12:35] + Could not connect to Assignment Server
[15:12:35] + Could not connect to Assignment Server 2
[15:12:35] + Couldn't get work instructions.
[15:12:35] - Attempt #3  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:02] + Attempting to get work packet
[15:13:02] - Connecting to assignment server
[15:13:02] + Could not connect to Assignment Server
[15:13:02] + Could not connect to Assignment Server 2
[15:13:02] + Couldn't get work instructions.
[15:13:02] - Attempt #4  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:47] + Attempting to get work packet
[15:13:47] - Connecting to assignment server
[15:13:52] + No appropriate work server was available; will try again in a bit.
[15:13:52] + Couldn't get work instructions.
[15:13:52] - Attempt #5  to get work failed, and no other work to do.
             Waiting before retry.
[15:15:21] + Attempting to get work packet
[15:15:21] - Connecting to assignment server
[15:15:21] - Successful: assigned to (129.74.85.48).
[15:15:21] + News From Folding@Home: Welcome to Folding@Home
[15:15:21] Loaded queue successfully.
[15:15:22] + Closed connections
[15:15:22] 
[15:15:22] + Processing work unit
[15:15:22] Core required: FahCore_b4.exe
[15:15:22] Core not found.
[15:15:22] - Core is not present or corrupted.
[15:15:22] - Attempting to download new core...
[15:15:22] + Downloading new core: FahCore_b4.exe
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[15:15:23] Verifying core Core_b4.fah...
[15:15:23] Signature is VALID
[15:15:23] 
[15:15:23] Trying to unzip core FahCore_b4.exe
[15:15:24] Decompressed FahCore_b4.exe (7260868 bytes) successfully
[15:15:24] + Core successfully engaged
[15:15:30] 
[15:15:30] + Processing work unit
[15:15:30] Core required: FahCore_b4.exe
[15:15:30] Core found.
[15:15:30] Working on Unit 03 [October 13 15:15:30]
[15:15:30] + Working ...
[15:15:30] ******* Log Started 13/Oct/2009 08:15:30 *******
[15:15:30] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2775 -version 602 
[15:15:30]                type 1000
[15:15:30]           core_type 180
[15:15:30]            core_ver 0
[15:15:30]    compression_type 1
[15:15:30]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[15:15:30]                 run 4909
[15:15:30]               clone 0
[15:15:30]                 gen 1
[15:15:30]             user_id 0x00000000000000000000000000000000
[15:15:30]             work_id 0x00000000000132994aa6ec510000132b
[15:15:30]             mach_id 1
[15:15:30]           data_size 414208
[15:15:30]     compressed_size 65366
[15:15:30]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[15:15:30]          project_id 1031
[15:15:30] Reading tar file checkpt
[15:15:30] Reading tar file ww_exteq_nowater1.49.pos
[15:15:30] Reading tar file ww_exteq_nowater1.49.vel
[15:15:30] Reading tar file protomol.conf
[15:15:30] Reading tar file par_all27_prot_lipid.inp
[15:15:30] Reading tar file scpismQuartic.inp
[15:15:30] Reading tar file ww_exteq_nowater1.pdb
[15:15:30] Reading tar file ww_exteq_nowater1.psf
[15:15:30] Digital signatures verified
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:15:30]                 component based framework.
[15:15:30]        Version: 3.1
[15:15:30]   SVN revision: 1698
[15:15:30]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:15:30]       Homepage: http://protomol.sourceforge.net/
[15:15:30] Report bugs to: <email address hidden>, <email address hidden>
[15:15:30]       Compiler: g++ 4.1.2
[15:15:30]          Flags: 
[15:15:30]     Extra libs: 
[15:15:30]       Built by: buildbot
[15:15:30] Build platform: posix
[15:15:30]     Build date: Oct  7 2009, 09:10:13
[15:15:30]   Checksumming: Enabled for Folding@Home file protection.
[15:15:30]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:15:30]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:15:30]                 An object-oriented framework for prototyping novel algorithms
[15:15:30]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:15:30]                 2004.
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:30] Recoverable Error:  Ignoring: Gui false
[15:15:30] !Checkpoint File!
[15:15:30] Reading checkpoint
[15:15:30] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:15:30] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:15:30] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:15:30] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:15:30] Using SCPISM file 'scpismQuartic.inp'.
[15:15:30] SCPISM: doSCPISM set to 4.
[15:15:30] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:15:30] !Checkpoint File!
[15:15:30] Removed linear momentum : (3.43595,0.696442,0.487317)
[15:15:30] Removed angular momentum : (-24.8683,21.4834,11.059)
[15:15:30] Actual start temperature : 306.665K
[15:15:30] Virial tensor : false
[15:15:30] Molecular virial tensor : false
[15:15:30] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:15:30] Output DCDFile ww.d49.dcd 500 false.
[15:15:30] Output FAHFile ../current.xyz 50000.
[15:15:30] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:15:30] Output Screen true 50000.
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:15:30]   Level 0 LangevinLeapfrog {
[15:15:30]       timestep 1
[15:15:30]       temperature 300
[15:15:30]       gamma 91
[15:15:30]       seed 7261
[15:15:30]     Force Improper
[15:15:30]     Force Dihedral
[15:15:30]     Force Bond
[15:15:30]     Force Angle
[15:15:30]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:30]       -switchon 15	 # C2 swf switch on
[15:15:30]       -cutoff 20	 # C2 swf cutoff
[15:15:30]       -D 80	 # Bulk solvent dielectric
[15:15:30]       -switchon 8	 # C2 swf switch on
[15:15:30]       -cutoff 20	 # C2 swf cutoff
[15:15:30]       -bornswitch 3	 # Born Switch type
[15:15:30]       -cutoff 5	 # cutoff swf cutoff
[15:15:30]       -cutoff 20	 # algorithm cutoff
[15:15:30]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:30]       -bornswitch 3	 # Born Switch type
[15:15:30]       -D 80	 # Bulk solvent dielectric constant.
[15:15:30]       -cutoff 5	 # cutoff swf cutoff
[15:15:30]       -cutoff 5	 # algorithm cutoff
[15:15:30]   }
[15:15:30] }
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:15:30] AtomTypes            : 32
[15:15:30] Bonds                : 553
[15:15:30] Angles               : 989
[15:15:30] Dihedrals            : 1460 (1529)
[15:15:30] Impropers            : 90
[15:15:30] Molecules            : 1
[15:15:30] Water                : 0
[15:15:30] Pairs                : 724
[15:15:30] Degree of freedom    : 1629
[15:15:30] Molecule pair dist's : true
[15:15:30] Exclusion pairs      : 2962
[15:15:30] Max exclusion dist   : 26
[15:15:30] Time                 : 1000000
[15:15:30] CellManager          : Cubic
[15:15:30] BoundaryConditions   : Vacuum orthogonal
[15:15:30] coulombScalingFactor : 1
[15:15:30] exclude              : scaled1-4
[15:15:30] cellSize             : 5
[15:15:30] Atom density         : 0.00415908530697166
[15:15:30] Atom/cell            : 0.519885663371458
[15:15:30] Real cell size       : (5,5,5)
[15:15:30] Cell dimension       : (12,10,10)
[15:15:30] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:15:30] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:15:30] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:30] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]
[15:30:31] Checkpointing: Step 1023396. . .done
[15:45:32] Checkpointing: Step 1044960. . .done
[15:48:54] Step: 1050000
[15:48:54] Checkpointing: Step 1050000. . .done
[15:48:54] Step : 1050000, Time :      1.050 [ns], TE :   -2994.7204 [kcal/mol], T :   302.7714 [K], V :    142627.89 [AA^3]
[16:00:33] Checkpointing: Step 1065059. . .done
[16:15:34] Checkpointing: Step 1086121. . .done
[16:24:44] Step: 1100000
[16:24:44] Checkpointing: Step 1100000. . .done
[16:24:44] Step : 1100000, Time :      1.100 [ns], TE :   -2982.5447 [kcal/mol], T :   292.6149 [K], V :    142863.70 [AA^3]
[16:30:35] Checkpointing: Step 1109082. . .done
[16:45:36] Checkpointing: Step 1132486. . .done
[16:56:41] Step: 1150000
[16:56:41] Checkpointing: Step 1150000. . .done
[16:56:42] Step : 1150000, Time :      1.150 [ns], TE :   -2959.1848 [kcal/mol], T :   313.5460 [K], V :    135403.85 [AA^3]
[17:00:37] Checkpointing: Step 1156045. . .done


--- Opening Log file [October 14 04:58:39] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6


[04:58:39] - Ask before connecting: No
[04:58:39] - User name: Anonymous (Team 0)
[04:58:39] - User ID: 1DDCAA6700E9A5D3
[04:58:39] - Machine ID: 1
[04:58:39] 
[04:58:40] Loaded queue successfully.
[04:58:40] 
[04:58:40] + Processing work unit
[04:58:40] Core required: FahCore_b4.exe
[04:58:40] Core found.
[04:58:40] Working on Unit 03 [October 14 04:58:40]
[04:58:40] + Working ...
[04:58:40] ******* Log Started 13/Oct/2009 21:58:40 *******
[04:58:40] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2949 -version 602 
[04:58:41]                type 1000
[04:58:41]           core_type 180
[04:58:41]            core_ver 0
[04:58:41]    compression_type 1
[04:58:41]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[04:58:41]                 run 4909
[04:58:41]               clone 0
[04:58:41]                 gen 1
[04:58:41]             user_id 0x00000000000000000000000000000000
[04:58:41]             work_id 0x00000000000132994aa6ec510000132b
[04:58:41]             mach_id 1
[04:58:41]           data_size 414208
[04:58:41]     compressed_size 65366
[04:58:41]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[04:58:41]          project_id 1031
[04:58:41] Reading tar file checkpt
[04:58:41] Reading tar file ww_exteq_nowater1.49.pos
[04:58:41] Reading tar file ww_exteq_nowater1.49.vel
[04:58:41] Reading tar file protomol.conf
[04:58:41] Reading tar file par_all27_prot_lipid.inp
[04:58:41] Reading tar file scpismQuartic.inp
[04:58:41] Reading tar file ww_exteq_nowater1.pdb
[04:58:41] Reading tar file ww_exteq_nowater1.psf
[04:58:41] Digital signatures verified
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[04:58:41]                 component based framework.
[04:58:41]        Version: 3.1
[04:58:41]   SVN revision: 1698
[04:58:41]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[04:58:41]       Homepage: http://protomol.sourceforge.net/
[04:58:41] Report bugs to: <email address hidden>, <email address hidden>
[04:58:41]       Compiler: g++ 4.1.2
[04:58:41]          Flags: 
[04:58:41]     Extra libs: 
[04:58:41]       Built by: buildbot
[04:58:41] Build platform: posix
[04:58:41]     Build date: Oct  7 2009, 09:10:13
[04:58:41]   Checksumming: Enabled for Folding@Home file protection.
[04:58:41]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[04:58:41]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[04:58:41]                 An object-oriented framework for prototyping novel algorithms
[04:58:41]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[04:58:41]                 2004.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Recoverable Error:  Ignoring: Gui false
[04:58:41] !Checkpoint File!
[04:58:41] Reading checkpoint
[04:58:41] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[04:58:41] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[04:58:41] Using PSF file 'ww_exteq_nowater1.psf' (544).
[04:58:41] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[04:58:41] Using SCPISM file 'scpismQuartic.inp'.
[04:58:41] SCPISM: doSCPISM set to 4.
[04:58:41] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[04:58:41] !Checkpoint File!
[04:58:41] Removed linear momentum : (3.43595,0.696442,0.487317)
[04:58:41] Removed angular momentum : (-24.8683,21.4834,11.059)
[04:58:41] Actual start temperature : 306.665K
[04:58:41] Virial tensor : false
[04:58:41] Molecular virial tensor : false
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[04:58:41] Output DCDFile ww.d49.dcd 500 false.
[04:58:41] Output FAHFile ../current.xyz 50000.
[04:58:41] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[04:58:41] Output Screen true 50000.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[04:58:41]   Level 0 LangevinLeapfrog {
[04:58:41]       timestep 1
[04:58:41]       temperature 300
[04:58:41]       gamma 91
[04:58:41]       seed 7261
[04:58:41]     Force Improper
[04:58:41]     Force Dihedral
[04:58:41]     Force Bond
[04:58:41]     Force Angle
[04:58:41]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -switchon 15	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -D 80	 # Bulk solvent dielectric
[04:58:41]       -switchon 8	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 20	 # algorithm cutoff
[04:58:41]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -D 80	 # Bulk solvent dielectric constant.
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 5	 # algorithm cutoff
[04:58:41]   }
[04:58:41] }
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[04:58:41] AtomTypes            : 32
[04:58:41] Bonds                : 553
[04:58:41] Angles               : 989
[04:58:41] Dihedrals            : 1460 (1529)
[04:58:41] Impropers            : 90
[04:58:41] Molecules            : 1
[04:58:41] Water                : 0
[04:58:41] Pairs                : 724
[04:58:41] Degree of freedom    : 1629
[04:58:41] Molecule pair dist's : true
[04:58:41] Exclusion pairs      : 2962
[04:58:41] Max exclusion dist   : 26
[04:58:41] Time                 : 1000000
[04:58:41] CellManager          : Cubic
[04:58:41] BoundaryConditions   : Vacuum orthogonal
[04:58:41] coulombScalingFactor : 1
[04:58:41] exclude              : scaled1-4
[04:58:41] cellSize             : 5
[04:58:41] Atom density         : 0.00415908530697166
[04:58:41] Atom/cell            : 0.519885663371458
[04:58:41] Real cell size       : (5,5,5)
[04:58:41] Cell dimension       : (12,10,10)
[04:58:41] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[04:58:41] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[04:58:41] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]


--- Opening Log file [October 14 05:50:43] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6


[05:50:43] - Ask before connecting: No
[05:50:43] - User name: Anonymous (Team 0)
[05:50:43] - User ID: 1DDCAA6700E9A5D3
[05:50:43] - Machine ID: 1
[05:50:43] 
[05:50:43] Loaded queue successfully.
[05:50:43] 
[05:50:43] + Processing work unit
[05:50:43] Core required: FahCore_b4.exe
[05:50:43] Core found.
[05:50:43] Working on Unit 03 [October 14 05:50:43]
[05:50:43] + Working ...
[05:50:44] ******* Log Started 13/Oct/2009 22:50:44 *******
[05:50:44] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2926 -version 602 
[05:50:44]                type 1000
[05:50:44]           core_type 180
[05:50:44]            core_ver 0
[05:50:44]    compression_type 1
[05:50:44]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[05:50:44]                 run 4909
[05:50:44]               clone 0
[05:50:44]                 gen 1
[05:50:44]             user_id 0x00000000000000000000000000000000
[05:50:44]             work_id 0x00000000000132994aa6ec510000132b
[05:50:44]             mach_id 1
[05:50:44]           data_size 414208
[05:50:44]     compressed_size 65366
[05:50:44]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[05:50:44]          project_id 1031
[05:50:44] Reading tar file checkpt
[05:50:44] Reading tar file ww_exteq_nowater1.49.pos
[05:50:44] Reading tar file ww_exteq_nowater1.49.vel
[05:50:44] Reading tar file protomol.conf
[05:50:44] Reading tar file par_all27_prot_lipid.inp
[05:50:44] Reading tar file scpismQuartic.inp
[05:50:44] Reading tar file ww_exteq_nowater1.pdb
[05:50:44] Reading tar file ww_exteq_nowater1.psf
[05:50:44] Digital signatures verified
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[05:50:44]                 component based framework.
[05:50:44]        Version: 3.1
[05:50:44]   SVN revision: 1698
[05:50:44]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[05:50:44]       Homepage: http://protomol.sourceforge.net/
[05:50:44] Report bugs to: <email address hidden>, <email address hidden>
[05:50:44]       Compiler: g++ 4.1.2
[05:50:44]          Flags: 
[05:50:44]     Extra libs: 
[05:50:44]       Built by: buildbot
[05:50:44] Build platform: posix
[05:50:44]     Build date: Oct  7 2009, 09:10:13
[05:50:44]   Checksumming: Enabled for Folding@Home file protection.
[05:50:44]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[05:50:44]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[05:50:44]                 An object-oriented framework for prototyping novel algorithms
[05:50:44]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[05:50:44]                 2004.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Recoverable Error:  Ignoring: Gui false
[05:50:44] !Checkpoint File!
[05:50:44] Reading checkpoint
[05:50:44] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[05:50:44] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[05:50:44] Using PSF file 'ww_exteq_nowater1.psf' (544).
[05:50:44] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[05:50:44] Using SCPISM file 'scpismQuartic.inp'.
[05:50:44] SCPISM: doSCPISM set to 4.
[05:50:44] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[05:50:45] !Checkpoint File!
[05:50:45] Removed linear momentum : (3.43595,0.696442,0.487317)
[05:50:45] Removed angular momentum : (-24.8683,21.4834,11.059)
[05:50:45] Actual start temperature : 306.665K
[05:50:45] Virial tensor : false
[05:50:45] Molecular virial tensor : false
[05:50:45] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[05:50:45] Output DCDFile ww.d49.dcd 500 false.
[05:50:45] Output FAHFile ../current.xyz 50000.
[05:50:45] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[05:50:45] Output Screen true 50000.
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[05:50:45]   Level 0 LangevinLeapfrog {
[05:50:45]       timestep 1
[05:50:45]       temperature 300
[05:50:45]       gamma 91
[05:50:45]       seed 7261
[05:50:45]     Force Improper
[05:50:45]     Force Dihedral
[05:50:45]     Force Bond
[05:50:45]     Force Angle
[05:50:45]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:45]       -switchon 15	 # C2 swf switch on
[05:50:45]       -cutoff 20	 # C2 swf cutoff
[05:50:45]       -D 80	 # Bulk solvent dielectric
[05:50:45]       -switchon 8	 # C2 swf switch on
[05:50:45]       -cutoff 20	 # C2 swf cutoff
[05:50:45]       -bornswitch 3	 # Born Switch type
[05:50:45]       -cutoff 5	 # cutoff swf cutoff
[05:50:45]       -cutoff 20	 # algorithm cutoff
[05:50:45]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:45]       -bornswitch 3	 # Born Switch type
[05:50:45]       -D 80	 # Bulk solvent dielectric constant.
[05:50:45]       -cutoff 5	 # cutoff swf cutoff
[05:50:45]       -cutoff 5	 # algorithm cutoff
[05:50:45]   }
[05:50:45] }
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[05:50:45] AtomTypes            : 32
[05:50:45] Bonds                : 553
[05:50:45] Angles               : 989
[05:50:45] Dihedrals            : 1460 (1529)
[05:50:45] Impropers            : 90
[05:50:45] Molecules            : 1
[05:50:45] Water                : 0
[05:50:45] Pairs                : 724
[05:50:45] Degree of freedom    : 1629
[05:50:45] Molecule pair dist's : true
[05:50:45] Exclusion pairs      : 2962
[05:50:45] Max exclusion dist   : 26
[05:50:45] Time                 : 1000000
[05:50:45] CellManager          : Cubic
[05:50:45] BoundaryConditions   : Vacuum orthogonal
[05:50:45] coulombScalingFactor : 1
[05:50:45] exclude              : scaled1-4
[05:50:45] cellSize             : 5
[05:50:45] Atom density         : 0.00415908530697166
[05:50:45] Atom/cell            : 0.519885663371458
[05:50:45] Real cell size       : (5,5,5)
[05:50:45] Cell dimension       : (12,10,10)
[05:50:45] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[05:50:45] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[05:50:45] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:45] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]


--- Opening Log file [October 14 15:03:55] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6


[15:03:55] - Ask before connecting: No
[15:03:55] - User name: Anonymous (Team 0)
[15:03:55] - User ID: 1DDCAA6700E9A5D3
[15:03:55] - Machine ID: 1
[15:03:55] 
[15:03:55] Loaded queue successfully.
[15:03:55] 
[15:03:55] + Processing work unit
[15:03:55] Core required: FahCore_b4.exe
[15:03:55] Core found.
[15:03:55] Working on Unit 03 [October 14 15:03:55]
[15:03:55] + Working ...
[15:03:56] ******* Log Started 14/Oct/2009 08:03:56 *******
[15:03:56] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 30765 -version 602 
[15:03:56]                type 1000
[15:03:56]           core_type 180
[15:03:56]            core_ver 0
[15:03:56]    compression_type 1
[15:03:56]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[15:03:56]                 run 4909
[15:03:56]               clone 0
[15:03:56]                 gen 1
[15:03:56]             user_id 0x00000000000000000000000000000000
[15:03:56]             work_id 0x00000000000132994aa6ec510000132b
[15:03:56]             mach_id 1
[15:03:56]           data_size 414208
[15:03:56]     compressed_size 65366
[15:03:56]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[15:03:56]          project_id 1031
[15:03:56] Reading tar file checkpt
[15:03:56] Reading tar file ww_exteq_nowater1.49.pos
[15:03:56] Reading tar file ww_exteq_nowater1.49.vel
[15:03:56] Reading tar file protomol.conf
[15:03:56] Reading tar file par_all27_prot_lipid.inp
[15:03:56] Reading tar file scpismQuartic.inp
[15:03:56] Reading tar file ww_exteq_nowater1.pdb
[15:03:56] Reading tar file ww_exteq_nowater1.psf
[15:03:56] Digital signatures verified
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:03:56]                 component based framework.
[15:03:56]        Version: 3.1
[15:03:56]   SVN revision: 1698
[15:03:56]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:03:56]       Homepage: http://protomol.sourceforge.net/
[15:03:56] Report bugs to: <email address hidden>, <email address hidden>
[15:03:56]       Compiler: g++ 4.1.2
[15:03:56]          Flags: 
[15:03:56]     Extra libs: 
[15:03:56]       Built by: buildbot
[15:03:56] Build platform: posix
[15:03:56]     Build date: Oct  7 2009, 09:10:13
[15:03:56]   Checksumming: Enabled for Folding@Home file protection.
[15:03:56]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:03:56]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:03:56]                 An object-oriented framework for prototyping novel algorithms
[15:03:56]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:03:56]                 2004.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Recoverable Error:  Ignoring: Gui false
[15:03:56] !Checkpoint File!
[15:03:56] Reading checkpoint
[15:03:56] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:03:56] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:03:56] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:03:56] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:03:56] Using SCPISM file 'scpismQuartic.inp'.
[15:03:56] SCPISM: doSCPISM set to 4.
[15:03:56] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:03:56] !Checkpoint File!
[15:03:56] Removed linear momentum : (3.43595,0.696442,0.487317)
[15:03:56] Removed angular momentum : (-24.8683,21.4834,11.059)
[15:03:56] Actual start temperature : 306.665K
[15:03:56] Virial tensor : false
[15:03:56] Molecular virial tensor : false
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:03:57] Output DCDFile ww.d49.dcd 500 false.
[15:03:57] Output FAHFile ../current.xyz 50000.
[15:03:57] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:03:57] Output Screen true 50000.
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:03:57]   Level 0 LangevinLeapfrog {
[15:03:57]       timestep 1
[15:03:57]       temperature 300
[15:03:57]       gamma 91
[15:03:57]       seed 7261
[15:03:57]     Force Improper
[15:03:57]     Force Dihedral
[15:03:57]     Force Bond
[15:03:57]     Force Angle
[15:03:57]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:57]       -switchon 15	 # C2 swf switch on
[15:03:57]       -cutoff 20	 # C2 swf cutoff
[15:03:57]       -D 80	 # Bulk solvent dielectric
[15:03:57]       -switchon 8	 # C2 swf switch on
[15:03:57]       -cutoff 20	 # C2 swf cutoff
[15:03:57]       -bornswitch 3	 # Born Switch type
[15:03:57]       -cutoff 5	 # cutoff swf cutoff
[15:03:57]       -cutoff 20	 # algorithm cutoff
[15:03:57]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:57]       -bornswitch 3	 # Born Switch type
[15:03:57]       -D 80	 # Bulk solvent dielectric constant.
[15:03:57]       -cutoff 5	 # cutoff swf cutoff
[15:03:57]       -cutoff 5	 # algorithm cutoff
[15:03:57]   }
[15:03:57] }
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:03:57] AtomTypes            : 32
[15:03:57] Bonds                : 553
[15:03:57] Angles               : 989
[15:03:57] Dihedrals            : 1460 (1529)
[15:03:57] Impropers            : 90
[15:03:57] Molecules            : 1
[15:03:57] Water                : 0
[15:03:57] Pairs                : 724
[15:03:57] Degree of freedom    : 1629
[15:03:57] Molecule pair dist's : true
[15:03:57] Exclusion pairs      : 2962
[15:03:57] Max exclusion dist   : 26
[15:03:57] Time                 : 1000000
[15:03:57] CellManager          : Cubic
[15:03:57] BoundaryConditions   : Vacuum orthogonal
[15:03:57] coulombScalingFactor : 1
[15:03:57] exclude              : scaled1-4
[15:03:57] cellSize             : 5
[15:03:57] Atom density         : 0.00415908530697166
[15:03:57] Atom/cell            : 0.519885663371458
[15:03:57] Real cell size       : (5,5,5)
[15:03:57] Cell dimension       : (12,10,10)
[15:03:57] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:03:57] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:03:57] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:57] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]
[15:18:57] Checkpointing: Step 1022140. . .done
[15:33:58] Checkpointing: Step 1043900. . .done
[15:38:01] Step: 1050000
[15:38:01] Checkpointing: Step 1050000. . .done
[15:38:01] Step : 1050000, Time :      1.050 [ns], TE :   -2994.7204 [kcal/mol], T :   302.7714 [K], V :    142627.89 [AA^3]
[15:48:59] Checkpointing: Step 1066829. . .done
[16:04:00] Checkpointing: Step 1089989. . .done
[16:10:31] Step: 1100000
[16:10:31] Checkpointing: Step 1100000. . .done
[16:10:31] Step : 1100000, Time :      1.100 [ns], TE :   -2982.5447 [kcal/mol], T :   292.6149 [K], V :    142863.70 [AA^3]
[16:19:01] Checkpointing: Step 1113471. . .done
[16:34:02] Checkpointing: Step 1136849. . .done
[16:42:25] Step: 1150000
[16:42:25] Checkpointing: Step 1150000. . .done
[16:42:25] Step : 1150000, Time :      1.150 [ns], TE :   -2959.1848 [kcal/mol], T :   313.5460 [K], V :    135403.85 [AA^3]
[16:49:03] Checkpointing: Step 1160092. . .done
[17:04:04] Checkpointing: Step 1183379. . .done
[17:14:45] Step: 1200000
[17:14:45] Checkpointing: Step 1200000. . .done
[17:14:45] Step : 1200000, Time :      1.200 [ns], TE :   -2931.2494 [kcal/mol], T :   325.9194 [K], V :    139501.40 [AA^3]
[17:19:05] Checkpointing: Step 1206802. . .done
[17:34:06] Checkpointing: Step 1230221. . .done
[17:46:57] Step: 1250000
[17:46:57] Checkpointing: Step 1250000. . .done
[17:46:57] Step : 1250000, Time :      1.250 [ns], TE :   -2986.5417 [kcal/mol], T :   296.2390 [K], V :    144031.00 [AA^3]
[17:49:07] Checkpointing: Step 1253312. . .done
[18:04:08] Checkpointing: Step 1276687. . .done
[18:19:09] Checkpointing: Step 1299779. . .done
[18:19:17] Step: 1300000
[18:19:17] Checkpointing: Step 1300000. . .done
[18:19:17] Step : 1300000, Time :      1.300 [ns], TE :   -2991.4259 [kcal/mol], T :   307.6746 [K], V :    144734.54 [AA^3]
[18:34:10] Checkpointing: Step 1322969. . .done
[18:49:11] Checkpointing: Step 1346296. . .done
[18:51:35] Step: 1350000
[18:51:35] Checkpointing: Step 1350000. . .done
[18:51:35] Step : 1350000, Time :      1.350 [ns], TE :   -2975.4730 [kcal/mol], T :   297.4232 [K], V :    146655.13 [AA^3]
[19:04:12] Checkpointing: Step 1369591. . .done
[19:19:13] Checkpointing: Step 1392632. . .done
[19:23:57] Step: 1400000
[19:23:57] Checkpointing: Step 1400000. . .done
[19:23:57] Step : 1400000, Time :      1.400 [ns], TE :   -3045.9520 [kcal/mol], T :   294.8516 [K], V :    145359.74 [AA^3]
[19:34:14] Checkpointing: Step 1416079. . .done
[19:49:15] Checkpointing: Step 1439663. . .done
[19:55:59] Step: 1450000
[19:55:59] Checkpointing: Step 1450000. . .done
[19:55:59] Step : 1450000, Time :      1.450 [ns], TE :   -2958.8521 [kcal/mol], T :   321.2656 [K], V :    138172.89 [AA^3]
[20:04:16] Checkpointing: Step 1462745. . .done
[20:19:17] Checkpointing: Step 1485781. . .done
[20:28:38] Step: 1500000
[20:28:38] Checkpointing: Step 1500000. . .done
[20:28:38] Step : 1500000, Time :      1.500 [ns], TE :   -3001.1100 [kcal/mol], T :   291.8114 [K], V :    130343.34 [AA^3]
[20:34:18] Checkpointing: Step 1508706. . .done
[20:49:19] Checkpointing: Step 1531781. . .done
[21:01:23] Step: 1550000
[21:01:23] Checkpointing: Step 1550000. . .done
[21:01:23] Step : 1550000, Time :      1.550 [ns], TE :   -2989.0621 [kcal/mol], T :   310.6930 [K], V :    143202.20 [AA^3]
[21:04:20] Checkpointing: Step 1554491. . .done
[21:19:21] Checkpointing: Step 1577755. . .done
[21:33:40] Step: 1600000
[21:33:40] Checkpointing: Step 1600000. . .done
[21:33:40] Step : 1600000, Time :      1.600 [ns], TE :   -3009.2316 [kcal/mol], T :   293.5930 [K], V :    138257.16 [AA^3]
[21:34:22] Checkpointing: Step 1601126. . .done
[21:49:23] Checkpointing: Step 1623903. . .done
[22:04:24] Checkpointing: Step 1646850. . .done
[22:06:32] Step: 1650000
[22:06:32] Checkpointing: Step 1650000. . .done
[22:06:32] Step : 1650000, Time :      1.650 [ns], TE :   -2975.5288 [kcal/mol], T :   303.4940 [K], V :    135329.17 [AA^3]
[22:19:25] Checkpointing: Step 1670129. . .done
[22:34:26] Checkpointing: Step 1693190. . .done
[22:38:51] Step: 1700000
[22:38:51] Checkpointing: Step 1700000. . .done
[22:38:51] Step : 1700000, Time :      1.700 [ns], TE :   -3016.7920 [kcal/mol], T :   299.2767 [K], V :    131560.44 [AA^3]
[22:49:27] Checkpointing: Step 1716487. . .done
[23:04:28] Checkpointing: Step 1738861. . .done
[23:11:37] Step: 1750000
[23:11:37] Checkpointing: Step 1750000. . .done
[23:11:37] Step : 1750000, Time :      1.750 [ns], TE :   -2975.5520 [kcal/mol], T :   289.9344 [K], V :    137440.38 [AA^3]
[23:19:29] Checkpointing: Step 1762026. . .done
[23:34:30] Checkpointing: Step 1784710. . .done
[23:44:39] Step: 1800000
[23:44:39] Checkpointing: Step 1800000. . .done
[23:44:39] Step : 1800000, Time :      1.800 [ns], TE :   -3003.8055 [kcal/mol], T :   294.9420 [K], V :    136834.56 [AA^3]
[23:49:31] Checkpointing: Step 1807448. . .done
[00:04:32] Checkpointing: Step 1829909. . .done
[00:18:12] Step: 1850000
[00:18:12] Checkpointing: Step 1850000. . .done
[00:18:13] Step : 1850000, Time :      1.850 [ns], TE :   -2961.1923 [kcal/mol], T :   309.3950 [K], V :    136702.86 [AA^3]
[00:19:33] Checkpointing: Step 1851958. . .done
[00:34:34] Checkpointing: Step 1874744. . .done
[00:49:35] Checkpointing: Step 1896764. . .done
[00:51:45] Step: 1900000
[00:51:45] Checkpointing: Step 1900000. . .done
[00:51:45] Step : 1900000, Time :      1.900 [ns], TE :   -2992.8868 [kcal/mol], T :   299.7611 [K], V :    134846.69 [AA^3]
[01:04:36] Checkpointing: Step 1918991. . .done
[01:19:37] Checkpointing: Step 1941312. . .done
[01:25:30] Step: 1950000
[01:25:30] Checkpointing: Step 1950000. . .done
[01:25:30] Step : 1950000, Time :      1.950 [ns], TE :   -3010.4870 [kcal/mol], T :   292.6279 [K], V :    132025.85 [AA^3]
[01:34:38] Checkpointing: Step 1962932. . .done


--- Opening Log file [October 10 02:05:33] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6


[02:05:33] - Ask before connecting: No
[02:05:33] - User name: Anonymous (Team 0)
[02:05:33] - User ID: 49C28ACC224606E8
[02:05:33] - Machine ID: 2
[02:05:33] 
[02:05:34] Loaded queue successfully.
[02:05:34] Deleting incompletely fetched item (4) from queue position #3
[02:05:34] - Preparing to get new work unit...
[02:05:34] + Attempting to get work packet
[02:05:34] - Connecting to assignment server
[02:05:34] + Could not connect to Assignment Server
[02:05:34] + Could not connect to Assignment Server 2
[02:05:34] + Couldn't get work instructions.
[02:05:34] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[02:05:42] + Attempting to get work packet
[02:05:42] - Connecting to assignment server
[02:05:42] + Could not connect to Assignment Server
[02:05:42] + Could not connect to Assignment Server 2
[02:05:42] + Couldn't get work instructions.
[02:05:42] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.


--- Opening Log file [October 13 15:12:04] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6


[15:12:04] - Ask before connecting: No
[15:12:04] - User name: Anonymous (Team 0)
[15:12:04] - User ID: 49C28ACC224606E8
[15:12:04] - Machine ID: 2
[15:12:04] 
[15:12:04] Loaded queue successfully.
[15:12:04] - Preparing to get new work unit...
[15:12:04] + Attempting to get work packet
[15:12:04] - Connecting to assignment server
[15:12:04] + Could not connect to Assignment Server
[15:12:04] + Could not connect to Assignment Server 2
[15:12:04] + Couldn't get work instructions.
[15:12:04] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:17] + Attempting to get work packet
[15:12:17] - Connecting to assignment server
[15:12:17] + Could not connect to Assignment Server
[15:12:17] + Could not connect to Assignment Server 2
[15:12:17] + Couldn't get work instructions.
[15:12:17] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:35] + Attempting to get work packet
[15:12:35] - Connecting to assignment server
[15:12:35] + Could not connect to Assignment Server
[15:12:35] + Could not connect to Assignment Server 2
[15:12:35] + Couldn't get work instructions.
[15:12:35] - Attempt #3  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:02] + Attempting to get work packet
[15:13:02] - Connecting to assignment server
[15:13:02] + Could not connect to Assignment Server
[15:13:02] + Could not connect to Assignment Server 2
[15:13:02] + Couldn't get work instructions.
[15:13:02] - Attempt #4  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:47] + Attempting to get work packet
[15:13:47] - Connecting to assignment server
[15:13:47] + No appropriate work server was available; will try again in a bit.
[15:13:47] + Couldn't get work instructions.
[15:13:47] - Attempt #5  to get work failed, and no other work to do.
             Waiting before retry.
[15:15:16] + Attempting to get work packet
[15:15:16] - Connecting to assignment server
[15:15:16] - Successful: assigned to (129.74.85.48).
[15:15:16] + News From Folding@Home: Welcome to Folding@Home
[15:15:16] Loaded queue successfully.
[15:15:17] + Closed connections
[15:15:17] 
[15:15:17] + Processing work unit
[15:15:17] Core required: FahCore_b4.exe
[15:15:17] Core not found.
[15:15:17] - Core is not present or corrupted.
[15:15:17] - Attempting to download new core...
[15:15:17] + Downloading new core: FahCore_b4.exe
[15:15:17] + 10240 bytes downloaded
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[15:15:19] Verifying core Core_b4.fah...
[15:15:19] Signature is VALID
[15:15:19] 
[15:15:19] Trying to unzip core FahCore_b4.exe
[15:15:20] Decompressed FahCore_b4.exe (7260868 bytes) successfully
[15:15:20] + Core successfully engaged
[15:15:25] 
[15:15:25] + Processing work unit
[15:15:25] Core required: FahCore_b4.exe
[15:15:25] Core found.
[15:15:25] Working on Unit 03 [October 13 15:15:25]
[15:15:25] + Working ...
[15:15:25] ******* Log Started 13/Oct/2009 08:15:25 *******
[15:15:25] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2794 -version 602 
[15:15:25]                type 1000
[15:15:25]           core_type 180
[15:15:25]            core_ver 0
[15:15:25]    compression_type 1
[15:15:25]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[15:15:25]                 run 4104
[15:15:25]               clone 0
[15:15:25]                 gen 1
[15:15:25]             user_id 0x00000000000000000000000000000000
[15:15:25]             work_id 0x00000000000132994aa6ec180000101c
[15:15:25]             mach_id 2
[15:15:25]           data_size 414208
[15:15:25]     compressed_size 65584
[15:15:25]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[15:15:25]          project_id 1031
[15:15:25] Reading tar file checkpt
[15:15:25] Reading tar file ww_exteq_nowater1.49.pos
[15:15:25] Reading tar file ww_exteq_nowater1.49.vel
[15:15:25] Reading tar file protomol.conf
[15:15:25] Reading tar file par_all27_prot_lipid.inp
[15:15:25] Reading tar file scpismQuartic.inp
[15:15:25] Reading tar file ww_exteq_nowater1.pdb
[15:15:25] Reading tar file ww_exteq_nowater1.psf
[15:15:25] Digital signatures verified
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:15:26]                 component based framework.
[15:15:26]        Version: 3.1
[15:15:26]   SVN revision: 1698
[15:15:26]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:15:26]       Homepage: http://protomol.sourceforge.net/
[15:15:26] Report bugs to: <email address hidden>, <email address hidden>
[15:15:26]       Compiler: g++ 4.1.2
[15:15:26]          Flags: 
[15:15:26]     Extra libs: 
[15:15:26]       Built by: buildbot
[15:15:26] Build platform: posix
[15:15:26]     Build date: Oct  7 2009, 09:10:13
[15:15:26]   Checksumming: Enabled for Folding@Home file protection.
[15:15:26]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:15:26]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:15:26]                 An object-oriented framework for prototyping novel algorithms
[15:15:26]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:15:26]                 2004.
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:26] Recoverable Error:  Ignoring: Gui false
[15:15:26] !Checkpoint File!
[15:15:26] Reading checkpoint
[15:15:26] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:15:26] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:15:26] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:15:26] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:15:26] Using SCPISM file 'scpismQuartic.inp'.
[15:15:26] SCPISM: doSCPISM set to 4.
[15:15:26] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:15:26] !Checkpoint File!
[15:15:26] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[15:15:26] Removed angular momentum : (17.9668,-12.0813,5.25521)
[15:15:26] Actual start temperature : 268.374K
[15:15:26] Virial tensor : false
[15:15:26] Molecular virial tensor : false
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:15:26] Output DCDFile ww.d49.dcd 500 false.
[15:15:26] Output FAHFile ../current.xyz 50000.
[15:15:26] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:15:26] Output Screen true 50000.
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:15:26]   Level 0 LangevinLeapfrog {
[15:15:26]       timestep 1
[15:15:26]       temperature 300
[15:15:26]       gamma 91
[15:15:26]       seed 3591
[15:15:26]     Force Improper
[15:15:26]     Force Dihedral
[15:15:26]     Force Bond
[15:15:26]     Force Angle
[15:15:26]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:26]       -switchon 15	 # C2 swf switch on
[15:15:26]       -cutoff 20	 # C2 swf cutoff
[15:15:26]       -D 80	 # Bulk solvent dielectric
[15:15:26]       -switchon 8	 # C2 swf switch on
[15:15:26]       -cutoff 20	 # C2 swf cutoff
[15:15:26]       -bornswitch 3	 # Born Switch type
[15:15:26]       -cutoff 5	 # cutoff swf cutoff
[15:15:26]       -cutoff 20	 # algorithm cutoff
[15:15:26]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:26]       -bornswitch 3	 # Born Switch type
[15:15:26]       -D 80	 # Bulk solvent dielectric constant.
[15:15:26]       -cutoff 5	 # cutoff swf cutoff
[15:15:26]       -cutoff 5	 # algorithm cutoff
[15:15:26]   }
[15:15:26] }
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:15:26] AtomTypes            : 32
[15:15:26] Bonds                : 553
[15:15:26] Angles               : 989
[15:15:26] Dihedrals            : 1460 (1529)
[15:15:26] Impropers            : 90
[15:15:26] Molecules            : 1
[15:15:26] Water                : 0
[15:15:26] Pairs                : 724
[15:15:26] Degree of freedom    : 1629
[15:15:26] Molecule pair dist's : true
[15:15:26] Exclusion pairs      : 2962
[15:15:26] Max exclusion dist   : 26
[15:15:26] Time                 : 1000000
[15:15:26] CellManager          : Cubic
[15:15:26] BoundaryConditions   : Vacuum orthogonal
[15:15:26] coulombScalingFactor : 1
[15:15:26] exclude              : scaled1-4
[15:15:26] cellSize             : 5
[15:15:26] Atom density         : 0.00471697538409458
[15:15:26] Atom/cell            : 0.589621923011823
[15:15:26] Real cell size       : (5,5,5)
[15:15:26] Cell dimension       : (11,10,10)
[15:15:26] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:15:26] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:15:26] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:26] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]
[15:30:26] Checkpointing: Step 1023194. . .done
[15:45:27] Checkpointing: Step 1044966. . .done
[15:49:01] Step: 1050000
[15:49:01] Checkpointing: Step 1050000. . .done
[15:49:01] Step : 1050000, Time :      1.050 [ns], TE :   -3005.1902 [kcal/mol], T :   304.1025 [K], V :    116278.84 [AA^3]
[16:00:28] Checkpointing: Step 1065203. . .done
[16:15:29] Checkpointing: Step 1086496. . .done
[16:24:14] Step: 1100000
[16:24:14] Checkpointing: Step 1100000. . .done
[16:24:14] Step : 1100000, Time :      1.100 [ns], TE :   -2953.9450 [kcal/mol], T :   319.6784 [K], V :    119001.52 [AA^3]
[16:30:30] Checkpointing: Step 1109780. . .done
[16:45:31] Checkpointing: Step 1133151. . .done
[16:56:26] Step: 1150000
[16:56:26] Checkpointing: Step 1150000. . .done
[16:56:26] Step : 1150000, Time :      1.150 [ns], TE :   -2993.6157 [kcal/mol], T :   310.6230 [K], V :    120072.69 [AA^3]
[17:00:32] Checkpointing: Step 1156336. . .done


--- Opening Log file [October 14 04:58:39] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6


[04:58:39] - Ask before connecting: No
[04:58:39] - User name: Anonymous (Team 0)
[04:58:39] - User ID: 49C28ACC224606E8
[04:58:39] - Machine ID: 2
[04:58:39] 
[04:58:40] Loaded queue successfully.
[04:58:40] 
[04:58:40] + Processing work unit
[04:58:40] Core required: FahCore_b4.exe
[04:58:40] Core found.
[04:58:40] Working on Unit 03 [October 14 04:58:40]
[04:58:40] + Working ...
[04:58:40] ******* Log Started 13/Oct/2009 21:58:40 *******
[04:58:40] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2964 -version 602 
[04:58:41]                type 1000
[04:58:41]           core_type 180
[04:58:41]            core_ver 0
[04:58:41]    compression_type 1
[04:58:41]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[04:58:41]                 run 4104
[04:58:41]               clone 0
[04:58:41]                 gen 1
[04:58:41]             user_id 0x00000000000000000000000000000000
[04:58:41]             work_id 0x00000000000132994aa6ec180000101c
[04:58:41]             mach_id 2
[04:58:41]           data_size 414208
[04:58:41]     compressed_size 65584
[04:58:41]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[04:58:41]          project_id 1031
[04:58:41] Reading tar file checkpt
[04:58:41] Reading tar file ww_exteq_nowater1.49.pos
[04:58:41] Reading tar file ww_exteq_nowater1.49.vel
[04:58:41] Reading tar file protomol.conf
[04:58:41] Reading tar file par_all27_prot_lipid.inp
[04:58:41] Reading tar file scpismQuartic.inp
[04:58:41] Reading tar file ww_exteq_nowater1.pdb
[04:58:41] Reading tar file ww_exteq_nowater1.psf
[04:58:41] Digital signatures verified
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[04:58:41]                 component based framework.
[04:58:41]        Version: 3.1
[04:58:41]   SVN revision: 1698
[04:58:41]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[04:58:41]       Homepage: http://protomol.sourceforge.net/
[04:58:41] Report bugs to: <email address hidden>, <email address hidden>
[04:58:41]       Compiler: g++ 4.1.2
[04:58:41]          Flags: 
[04:58:41]     Extra libs: 
[04:58:41]       Built by: buildbot
[04:58:41] Build platform: posix
[04:58:41]     Build date: Oct  7 2009, 09:10:13
[04:58:41]   Checksumming: Enabled for Folding@Home file protection.
[04:58:41]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[04:58:41]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[04:58:41]                 An object-oriented framework for prototyping novel algorithms
[04:58:41]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[04:58:41]                 2004.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Recoverable Error:  Ignoring: Gui false
[04:58:41] !Checkpoint File!
[04:58:41] Reading checkpoint
[04:58:41] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[04:58:41] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[04:58:41] Using PSF file 'ww_exteq_nowater1.psf' (544).
[04:58:41] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[04:58:41] Using SCPISM file 'scpismQuartic.inp'.
[04:58:41] SCPISM: doSCPISM set to 4.
[04:58:41] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[04:58:41] !Checkpoint File!
[04:58:41] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[04:58:41] Removed angular momentum : (17.9668,-12.0813,5.25521)
[04:58:41] Actual start temperature : 268.374K
[04:58:41] Virial tensor : false
[04:58:41] Molecular virial tensor : false
[04:58:41] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[04:58:41] Output DCDFile ww.d49.dcd 500 false.
[04:58:41] Output FAHFile ../current.xyz 50000.
[04:58:41] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[04:58:41] Output Screen true 50000.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[04:58:41]   Level 0 LangevinLeapfrog {
[04:58:41]       timestep 1
[04:58:41]       temperature 300
[04:58:41]       gamma 91
[04:58:41]       seed 3591
[04:58:41]     Force Improper
[04:58:41]     Force Dihedral
[04:58:41]     Force Bond
[04:58:41]     Force Angle
[04:58:41]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -switchon 15	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -D 80	 # Bulk solvent dielectric
[04:58:41]       -switchon 8	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 20	 # algorithm cutoff
[04:58:41]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -D 80	 # Bulk solvent dielectric constant.
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 5	 # algorithm cutoff
[04:58:41]   }
[04:58:41] }
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[04:58:41] AtomTypes            : 32
[04:58:41] Bonds                : 553
[04:58:41] Angles               : 989
[04:58:41] Dihedrals            : 1460 (1529)
[04:58:41] Impropers            : 90
[04:58:41] Molecules            : 1
[04:58:41] Water                : 0
[04:58:41] Pairs                : 724
[04:58:41] Degree of freedom    : 1629
[04:58:41] Molecule pair dist's : true
[04:58:41] Exclusion pairs      : 2962
[04:58:41] Max exclusion dist   : 26
[04:58:41] Time                 : 1000000
[04:58:41] CellManager          : Cubic
[04:58:41] BoundaryConditions   : Vacuum orthogonal
[04:58:41] coulombScalingFactor : 1
[04:58:41] exclude              : scaled1-4
[04:58:41] cellSize             : 5
[04:58:41] Atom density         : 0.00471697538409458
[04:58:41] Atom/cell            : 0.589621923011823
[04:58:41] Real cell size       : (5,5,5)
[04:58:41] Cell dimension       : (11,10,10)
[04:58:41] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[04:58:41] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[04:58:41] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]


--- Opening Log file [October 14 05:50:43] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6


[05:50:43] - Ask before connecting: No
[05:50:43] - User name: Anonymous (Team 0)
[05:50:43] - User ID: 49C28ACC224606E8
[05:50:43] - Machine ID: 2
[05:50:43] 
[05:50:43] Loaded queue successfully.
[05:50:43] 
[05:50:43] + Processing work unit
[05:50:43] Core required: FahCore_b4.exe
[05:50:43] Core found.
[05:50:43] Working on Unit 03 [October 14 05:50:43]
[05:50:43] + Working ...
[05:50:44] ******* Log Started 13/Oct/2009 22:50:44 *******
[05:50:44] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2949 -version 602 
[05:50:44]                type 1000
[05:50:44]           core_type 180
[05:50:44]            core_ver 0
[05:50:44]    compression_type 1
[05:50:44]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[05:50:44]                 run 4104
[05:50:44]               clone 0
[05:50:44]                 gen 1
[05:50:44]             user_id 0x00000000000000000000000000000000
[05:50:44]             work_id 0x00000000000132994aa6ec180000101c
[05:50:44]             mach_id 2
[05:50:44]           data_size 414208
[05:50:44]     compressed_size 65584
[05:50:44]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[05:50:44]          project_id 1031
[05:50:44] Reading tar file checkpt
[05:50:44] Reading tar file ww_exteq_nowater1.49.pos
[05:50:44] Reading tar file ww_exteq_nowater1.49.vel
[05:50:44] Reading tar file protomol.conf
[05:50:44] Reading tar file par_all27_prot_lipid.inp
[05:50:44] Reading tar file scpismQuartic.inp
[05:50:44] Reading tar file ww_exteq_nowater1.pdb
[05:50:44] Reading tar file ww_exteq_nowater1.psf
[05:50:44] Digital signatures verified
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[05:50:44]                 component based framework.
[05:50:44]        Version: 3.1
[05:50:44]   SVN revision: 1698
[05:50:44]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[05:50:44]       Homepage: http://protomol.sourceforge.net/
[05:50:44] Report bugs to: <email address hidden>, <email address hidden>
[05:50:44]       Compiler: g++ 4.1.2
[05:50:44]          Flags: 
[05:50:44]     Extra libs: 
[05:50:44]       Built by: buildbot
[05:50:44] Build platform: posix
[05:50:44]     Build date: Oct  7 2009, 09:10:13
[05:50:44]   Checksumming: Enabled for Folding@Home file protection.
[05:50:44]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[05:50:44]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[05:50:44]                 An object-oriented framework for prototyping novel algorithms
[05:50:44]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[05:50:44]                 2004.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Recoverable Error:  Ignoring: Gui false
[05:50:44] !Checkpoint File!
[05:50:44] Reading checkpoint
[05:50:44] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[05:50:44] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[05:50:44] Using PSF file 'ww_exteq_nowater1.psf' (544).
[05:50:44] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[05:50:44] Using SCPISM file 'scpismQuartic.inp'.
[05:50:44] SCPISM: doSCPISM set to 4.
[05:50:44] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[05:50:44] !Checkpoint File!
[05:50:44] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[05:50:44] Removed angular momentum : (17.9668,-12.0813,5.25521)
[05:50:44] Actual start temperature : 268.374K
[05:50:44] Virial tensor : false
[05:50:44] Molecular virial tensor : false
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[05:50:44] Output DCDFile ww.d49.dcd 500 false.
[05:50:44] Output FAHFile ../current.xyz 50000.
[05:50:44] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[05:50:44] Output Screen true 50000.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[05:50:44]   Level 0 LangevinLeapfrog {
[05:50:44]       timestep 1
[05:50:44]       temperature 300
[05:50:44]       gamma 91
[05:50:44]       seed 3591
[05:50:44]     Force Improper
[05:50:44]     Force Dihedral
[05:50:44]     Force Bond
[05:50:44]     Force Angle
[05:50:44]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:44]       -switchon 15	 # C2 swf switch on
[05:50:44]       -cutoff 20	 # C2 swf cutoff
[05:50:44]       -D 80	 # Bulk solvent dielectric
[05:50:44]       -switchon 8	 # C2 swf switch on
[05:50:44]       -cutoff 20	 # C2 swf cutoff
[05:50:44]       -bornswitch 3	 # Born Switch type
[05:50:44]       -cutoff 5	 # cutoff swf cutoff
[05:50:44]       -cutoff 20	 # algorithm cutoff
[05:50:44]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:44]       -bornswitch 3	 # Born Switch type
[05:50:44]       -D 80	 # Bulk solvent dielectric constant.
[05:50:44]       -cutoff 5	 # cutoff swf cutoff
[05:50:44]       -cutoff 5	 # algorithm cutoff
[05:50:44]   }
[05:50:44] }
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[05:50:44] AtomTypes            : 32
[05:50:44] Bonds                : 553
[05:50:44] Angles               : 989
[05:50:44] Dihedrals            : 1460 (1529)
[05:50:44] Impropers            : 90
[05:50:44] Molecules            : 1
[05:50:44] Water                : 0
[05:50:44] Pairs                : 724
[05:50:44] Degree of freedom    : 1629
[05:50:44] Molecule pair dist's : true
[05:50:44] Exclusion pairs      : 2962
[05:50:44] Max exclusion dist   : 26
[05:50:44] Time                 : 1000000
[05:50:44] CellManager          : Cubic
[05:50:44] BoundaryConditions   : Vacuum orthogonal
[05:50:44] coulombScalingFactor : 1
[05:50:44] exclude              : scaled1-4
[05:50:44] cellSize             : 5
[05:50:44] Atom density         : 0.00471697538409458
[05:50:44] Atom/cell            : 0.589621923011823
[05:50:44] Real cell size       : (5,5,5)
[05:50:44] Cell dimension       : (11,10,10)
[05:50:44] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[05:50:44] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[05:50:44] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]


--- Opening Log file [October 14 15:03:56] 


# Linux Console Edition #######################################################
###############################################################################

                       Folding@Home Client Version 6.02

                          http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6


[15:03:56] - Ask before connecting: No
[15:03:56] - User name: Anonymous (Team 0)
[15:03:56] - User ID: 49C28ACC224606E8
[15:03:56] - Machine ID: 2
[15:03:56] 
[15:03:56] Loaded queue successfully.
[15:03:56] 
[15:03:56] + Processing work unit
[15:03:56] Core required: FahCore_b4.exe
[15:03:56] Core found.
[15:03:56] Working on Unit 03 [October 14 15:03:56]
[15:03:56] + Working ...
[15:03:56] ******* Log Started 14/Oct/2009 08:03:56 *******
[15:03:56] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 30815 -version 602 
[15:03:56]                type 1000
[15:03:56]           core_type 180
[15:03:56]            core_ver 0
[15:03:56]    compression_type 1
[15:03:56]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[15:03:56]                 run 4104
[15:03:56]               clone 0
[15:03:56]                 gen 1
[15:03:56]             user_id 0x00000000000000000000000000000000
[15:03:56]             work_id 0x00000000000132994aa6ec180000101c
[15:03:56]             mach_id 2
[15:03:56]           data_size 414208
[15:03:56]     compressed_size 65584
[15:03:56]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[15:03:56]          project_id 1031
[15:03:56] Reading tar file checkpt
[15:03:56] Reading tar file ww_exteq_nowater1.49.pos
[15:03:56] Reading tar file ww_exteq_nowater1.49.vel
[15:03:56] Reading tar file protomol.conf
[15:03:56] Reading tar file par_all27_prot_lipid.inp
[15:03:56] Reading tar file scpismQuartic.inp
[15:03:56] Reading tar file ww_exteq_nowater1.pdb
[15:03:56] Reading tar file ww_exteq_nowater1.psf
[15:03:56] Digital signatures verified
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:03:56]                 component based framework.
[15:03:56]        Version: 3.1
[15:03:56]   SVN revision: 1698
[15:03:56]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:03:56]       Homepage: http://protomol.sourceforge.net/
[15:03:56] Report bugs to: <email address hidden>, <email address hidden>
[15:03:56]       Compiler: g++ 4.1.2
[15:03:56]          Flags: 
[15:03:56]     Extra libs: 
[15:03:56]       Built by: buildbot
[15:03:56] Build platform: posix
[15:03:56]     Build date: Oct  7 2009, 09:10:13
[15:03:56]   Checksumming: Enabled for Folding@Home file protection.
[15:03:56]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:03:56]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:03:56]                 An object-oriented framework for prototyping novel algorithms
[15:03:56]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:03:56]                 2004.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Recoverable Error:  Ignoring: Gui false
[15:03:56] !Checkpoint File!
[15:03:56] Reading checkpoint
[15:03:56] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:03:56] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:03:56] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:03:56] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:03:56] Using SCPISM file 'scpismQuartic.inp'.
[15:03:56] SCPISM: doSCPISM set to 4.
[15:03:56] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:03:56] !Checkpoint File!
[15:03:56] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[15:03:56] Removed angular momentum : (17.9668,-12.0813,5.25521)
[15:03:56] Actual start temperature : 268.374K
[15:03:56] Virial tensor : false
[15:03:56] Molecular virial tensor : false
[15:03:56] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:03:56] Output DCDFile ww.d49.dcd 500 false.
[15:03:56] Output FAHFile ../current.xyz 50000.
[15:03:56] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:03:56] Output Screen true 50000.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:03:56]   Level 0 LangevinLeapfrog {
[15:03:56]       timestep 1
[15:03:56]       temperature 300
[15:03:56]       gamma 91
[15:03:56]       seed 3591
[15:03:56]     Force Improper
[15:03:56]     Force Dihedral
[15:03:56]     Force Bond
[15:03:56]     Force Angle
[15:03:56]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:56]       -switchon 15	 # C2 swf switch on
[15:03:56]       -cutoff 20	 # C2 swf cutoff
[15:03:56]       -D 80	 # Bulk solvent dielectric
[15:03:56]       -switchon 8	 # C2 swf switch on
[15:03:56]       -cutoff 20	 # C2 swf cutoff
[15:03:56]       -bornswitch 3	 # Born Switch type
[15:03:56]       -cutoff 5	 # cutoff swf cutoff
[15:03:56]       -cutoff 20	 # algorithm cutoff
[15:03:56]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:56]       -bornswitch 3	 # Born Switch type
[15:03:56]       -D 80	 # Bulk solvent dielectric constant.
[15:03:56]       -cutoff 5	 # cutoff swf cutoff
[15:03:56]       -cutoff 5	 # algorithm cutoff
[15:03:56]   }
[15:03:56] }
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:03:56] AtomTypes            : 32
[15:03:56] Bonds                : 553
[15:03:56] Angles               : 989
[15:03:56] Dihedrals            : 1460 (1529)
[15:03:56] Impropers            : 90
[15:03:56] Molecules            : 1
[15:03:56] Water                : 0
[15:03:56] Pairs                : 724
[15:03:56] Degree of freedom    : 1629
[15:03:56] Molecule pair dist's : true
[15:03:56] Exclusion pairs      : 2962
[15:03:56] Max exclusion dist   : 26
[15:03:56] Time                 : 1000000
[15:03:56] CellManager          : Cubic
[15:03:56] BoundaryConditions   : Vacuum orthogonal
[15:03:56] coulombScalingFactor : 1
[15:03:56] exclude              : scaled1-4
[15:03:56] cellSize             : 5
[15:03:56] Atom density         : 0.00471697538409458
[15:03:56] Atom/cell            : 0.589621923011823
[15:03:56] Real cell size       : (5,5,5)
[15:03:56] Cell dimension       : (11,10,10)
[15:03:56] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:03:56] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:03:56] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]
[15:18:57] Checkpointing: Step 1021946. . .done
[15:33:58] Checkpointing: Step 1044397. . .done
[15:37:36] Step: 1050000
[15:37:36] Checkpointing: Step 1050000. . .done
[15:37:36] Step : 1050000, Time :      1.050 [ns], TE :   -3005.1902 [kcal/mol], T :   304.1025 [K], V :    116278.84 [AA^3]
[15:48:59] Checkpointing: Step 1067957. . .done
[16:04:00] Checkpointing: Step 1091406. . .done
[16:09:29] Step: 1100000
[16:09:29] Checkpointing: Step 1100000. . .done
[16:09:29] Step : 1100000, Time :      1.100 [ns], TE :   -2953.9450 [kcal/mol], T :   319.6784 [K], V :    119001.52 [AA^3]
[16:19:01] Checkpointing: Step 1114723. . .done
[16:34:02] Checkpointing: Step 1137727. . .done
[16:41:58] Step: 1150000
[16:41:58] Checkpointing: Step 1150000. . .done
[16:41:58] Step : 1150000, Time :      1.150 [ns], TE :   -2993.6157 [kcal/mol], T :   310.6230 [K], V :    120072.69 [AA^3]
[16:49:03] Checkpointing: Step 1161127. . .done
[17:04:04] Checkpointing: Step 1184224. . .done
[17:14:20] Step: 1200000
[17:14:20] Checkpointing: Step 1200000. . .done
[17:14:20] Step : 1200000, Time :      1.200 [ns], TE :   -3017.5131 [kcal/mol], T :   300.1966 [K], V :    115730.54 [AA^3]
[17:19:05] Checkpointing: Step 1207254. . .done
[17:34:06] Checkpointing: Step 1230420. . .done
[17:46:51] Step: 1250000
[17:46:51] Checkpointing: Step 1250000. . .done
[17:46:51] Step : 1250000, Time :      1.250 [ns], TE :   -3004.1057 [kcal/mol], T :   297.0398 [K], V :    117719.02 [AA^3]
[17:49:07] Checkpointing: Step 1253463. . .done
[18:04:08] Checkpointing: Step 1275867. . .done
[18:19:09] Checkpointing: Step 1298715. . .done
[18:19:58] Step: 1300000
[18:19:58] Checkpointing: Step 1300000. . .done
[18:19:58] Step : 1300000, Time :      1.300 [ns], TE :   -3010.1261 [kcal/mol], T :   300.1892 [K], V :    123549.02 [AA^3]
[18:34:10] Checkpointing: Step 1322016. . .done
[18:49:11] Checkpointing: Step 1345363. . .done
[18:52:07] Step: 1350000
[18:52:07] Checkpointing: Step 1350000. . .done
[18:52:07] Step : 1350000, Time :      1.350 [ns], TE :   -3006.2939 [kcal/mol], T :   299.7886 [K], V :    126646.21 [AA^3]
[19:04:12] Checkpointing: Step 1368808. . .done
[19:19:13] Checkpointing: Step 1392296. . .done
[19:24:06] Step: 1400000
[19:24:06] Checkpointing: Step 1400000. . .done
[19:24:06] Step : 1400000, Time :      1.400 [ns], TE :   -2977.7394 [kcal/mol], T :   305.6096 [K], V :    119574.34 [AA^3]
[19:34:14] Checkpointing: Step 1415400. . .done
[19:49:15] Checkpointing: Step 1438310. . .done
[19:56:43] Step: 1450000
[19:56:43] Checkpointing: Step 1450000. . .done
[19:56:43] Step : 1450000, Time :      1.450 [ns], TE :   -3008.6528 [kcal/mol], T :   292.0104 [K], V :    109992.54 [AA^3]
[20:04:16] Checkpointing: Step 1461716. . .done
[20:19:17] Checkpointing: Step 1484644. . .done
[20:29:17] Step: 1500000
[20:29:17] Checkpointing: Step 1500000. . .done
[20:29:17] Step : 1500000, Time :      1.500 [ns], TE :   -3004.0779 [kcal/mol], T :   301.0281 [K], V :    120250.46 [AA^3]
[20:34:18] Checkpointing: Step 1507700. . .done
[20:49:19] Checkpointing: Step 1530694. . .done
[21:01:36] Step: 1550000
[21:01:36] Checkpointing: Step 1550000. . .done
[21:01:36] Step : 1550000, Time :      1.550 [ns], TE :   -2965.5506 [kcal/mol], T :   310.0059 [K], V :    120712.41 [AA^3]
[21:04:20] Checkpointing: Step 1554249. . .done
[21:19:21] Checkpointing: Step 1577430. . .done
[21:33:58] Step: 1600000
[21:33:58] Checkpointing: Step 1600000. . .done
[21:33:58] Step : 1600000, Time :      1.600 [ns], TE :   -3013.4955 [kcal/mol], T :   308.0556 [K], V :    117774.44 [AA^3]
[21:34:22] Checkpointing: Step 1600566. . .done
[21:49:23] Checkpointing: Step 1623816. . .done
[22:04:24] Checkpointing: Step 1647138. . .done
[22:06:13] Step: 1650000
[22:06:13] Checkpointing: Step 1650000. . .done
[22:06:13] Step : 1650000, Time :      1.650 [ns], TE :   -2962.2538 [kcal/mol], T :   310.2346 [K], V :    114189.99 [AA^3]
[22:19:25] Checkpointing: Step 1669965. . .done
[22:34:26] Checkpointing: Step 1693334. . .done
[22:38:46] Step: 1700000
[22:38:46] Checkpointing: Step 1700000. . .done
[22:38:46] Step : 1700000, Time :      1.700 [ns], TE :   -3047.7992 [kcal/mol], T :   285.6977 [K], V :    110335.37 [AA^3]
[22:49:27] Checkpointing: Step 1716140. . .done
[23:04:28] Checkpointing: Step 1739567. . .done
[23:11:27] Step: 1750000
[23:11:27] Checkpointing: Step 1750000. . .done
[23:11:27] Step : 1750000, Time :      1.750 [ns], TE :   -2980.3772 [kcal/mol], T :   310.1055 [K], V :    111280.35 [AA^3]
[23:19:29] Checkpointing: Step 1762107. . .done
[23:34:30] Checkpointing: Step 1785016. . .done
[23:44:08] Step: 1800000
[23:44:08] Checkpointing: Step 1800000. . .done
[23:44:08] Step : 1800000, Time :      1.800 [ns], TE :   -3001.0114 [kcal/mol], T :   300.8364 [K], V :    115805.41 [AA^3]
[23:49:31] Checkpointing: Step 1808332. . .done
[00:04:32] Checkpointing: Step 1831569. . .done
[00:16:30] Step: 1850000
[00:16:30] Checkpointing: Step 1850000. . .done
[00:16:30] Step : 1850000, Time :      1.850 [ns], TE :   -3028.8622 [kcal/mol], T :   303.5761 [K], V :    117162.03 [AA^3]
[00:19:33] Checkpointing: Step 1854781. . .done
[00:34:34] Checkpointing: Step 1877732. . .done
[00:48:55] Step: 1900000
[00:48:55] Checkpointing: Step 1900000. . .done
[00:48:55] Step : 1900000, Time :      1.900 [ns], TE :   -2993.2800 [kcal/mol], T :   287.9191 [K], V :    115666.56 [AA^3]
[00:49:35] Checkpointing: Step 1901006. . .done
[01:04:36] Checkpointing: Step 1923736. . .done
[01:19:37] Checkpointing: Step 1946657. . .done
[01:21:45] Step: 1950000
[01:21:45] Checkpointing: Step 1950000. . .done
[01:21:45] Step : 1950000, Time :      1.950 [ns], TE :   -3081.3855 [kcal/mol], T :   287.6402 [K], V :    110559.49 [AA^3]
[01:34:38] Checkpointing: Step 1969447. . .done