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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:
226
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 Run
View tool metadata
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