Repository gmx_fep
Name: gmx_fep
Owner: chemteam
Synopsis: Wrapper for the freeenergy package: Alchemical Run
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/free_energy
Link to this repository: https://toolshed.g2.bx.psu.edu/view/chemteam/gmx_fep/c1bcdba99bb3
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gmx_fep
Type: unrestricted
Revision: 2:c1bcdba99bb3
This revision can be installed: True
Times cloned / installed: 252

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
Alchemical free energy simulations using gromacs 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