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. |
hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gromacs_extract_topology
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
from a GROMACS topology file | 0+galaxy0 | 20.09 |