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Repository gmx_sim
Name: gmx_sim
Owner: chemteam
Synopsis: Wrapper for the gromacs package: GROMACS simulation
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, lipids and nucleic acids 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 supports all the usual algorithms you expect from a modern molecular dynamics implementation (check the online reference or manual for details).
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Type: unrestricted
Revision: 13:da8753545526
This revision can be installed: True
Times cloned / installed: 2286

Contents of this repository

Name Description Version Minimum Galaxy Version
for system equilibration or data collection 2021.3+galaxy1 16.01

Molecular Dynamics - Tools for studying the physical movements of atoms and molecules
Computational chemistry - Tools for use in computational chemistry