gromacs 2021.3-4 source package in Ubuntu
Changelog
gromacs (2021.3-4) unstable; urgency=medium * Add Build-Depends-Indep: tex-gyre. (Closes: #997067) -- Nicholas Breen <email address hidden> Sat, 23 Oct 2021 11:18:36 -0700
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- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section |
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Downloads
File | Size | SHA-256 Checksum |
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gromacs_2021.3-4.dsc | 2.9 KiB | 11a1520f196e114a175a1a107428fd78c7e9377a6f2ca8c513f36ef9854031df |
gromacs_2021.3.orig-regressiontests.tar.gz | 46.3 MiB | dc90616e4f20055cb56315d936bbb1be1c9c8a9645b77a85419361933c2d43f1 |
gromacs_2021.3.orig.tar.gz | 36.2 MiB | e109856ec444768dfbde41f3059e3123abdb8fe56ca33b1a83f31ed4575a1cc6 |
gromacs_2021.3-4.debian.tar.xz | 39.6 KiB | ebff7cea1d0370c4647a674e1706965afb6906143b0d5a5e55bfe96ff9d1fdf1 |
Available diffs
- diff from 2021.3-3 to 2021.3-4 (460 bytes)
No changes file available.
Binary packages built by this source
- gromacs: Molecular dynamics simulator, with building and analysis tools
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
- gromacs-data: GROMACS molecular dynamics sim, data and documentation
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains architecture-independent topology and force field
data, documentation, man pages, and example files.
- gromacs-dbgsym: debug symbols for gromacs
- gromacs-mpi: Molecular dynamics sim, binaries for MPI parallelization
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains only the core simulation engine with parallel
support using the default MPI interface on the chosen architecture. It is
suitable for nodes of a processing cluster, or for multiprocessor machines.
- gromacs-mpi-dbgsym: debug symbols for gromacs-mpi
- libgromacs-dev: GROMACS molecular dynamics sim, development kit
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains header files and static libraries for development
purposes, plus sample Makefiles. Development components for MPI-enabled
GROMACS builds also require their respective packages.
- libgromacs6: GROMACS molecular dynamics sim, shared libraries
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains the shared library, libgromacs.
- libgromacs6-dbgsym: debug symbols for libgromacs6
- libnblib-dev: GROMACS molecular dynamics sim, NB-LIB development kit
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
The goal of NB-LIB is to enable researchers to programmatically define
molecular simulations. Traditionally these have been performed using a
collection of executables and a manual workflow followed by a “black-box”
simulation engine. NB-LIB allows users to script a variety of novel
simulation and analysis workflows at a more granular level.
.
This package contains header files for NB-LIB. For the classical GROMACS
API, see libgromacs-dev.
- libnblib0: GROMACS molecular dynamics sim, NB-LIB shared libraries
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
The goal of NB-LIB is to enable researchers to programmatically define
molecular simulations. Traditionally these have been performed using a
collection of executables and a manual workflow followed by a “black-box”
simulation engine. NB-LIB allows users to script a variety of novel
simulation and analysis workflows at a more granular level.
.
This package contains the shared library, libnblib.
- libnblib0-dbgsym: debug symbols for libnblib0