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Repository gmx_editconf
Name: gmx_editconf
Owner: chemteam
Synopsis: Wrapper for the gromacs package: GROMACS structure configuration
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
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs
Link to this repository revision: https://toolshed.g2.bx.psu.edu/view/chemteam/gmx_editconf/0fac8e2afc13
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf
Type: unrestricted
Revision: 7:0fac8e2afc13
This revision can be installed: True
Times cloned / installed: 1537

Contents of this repository

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Name Description Version Minimum Galaxy Version
using editconf 2020.4+galaxy0 16.01

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