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Repository gmx_nvt
Name: gmx_nvt
Owner: chemteam
Synopsis: Wrapper for the gromacs package: GROMACS NVT equilibration
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).
Content homepage: https://github.com/gromacs
Type: unrestricted
Revision: 2:d861e980340f
This revision can be installed: True
Times cloned / installed: 374

Contents of this repository

Name Description Version Minimum Galaxy Version
- constant-temperature and -volume equilibration of a system 2019.1 16.01

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