Repository gromacs_extract_topology
Owner: chemteam
Synopsis: Wrappers for the topology editors: Extracting Topology Information
This is a set of python scripts and associated tool files that can be used to modify topology files, specially those generated outside of GROMACS, so that they are ready for molecular dynamics (MD) simulations and analyzing trajectories.
Type: unrestricted
Revision: 0:9faa4f4b8b76
This revision can be installed: True
Times cloned / installed: 117

Contents of this repository

Name Description Version Minimum Galaxy Version
from a GROMACS topology file 0+galaxy0 20.09

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