Kevin Wu 106b3632ac Update gromacs script to add a constant amount of water

2023-03-30 13:50:45 -07:00

..

mdp

Add mdp files

2023-03-07 15:03:23 -08:00

Dockerfile

Docker file for GROMACS

2023-03-07 15:58:45 -08:00

gromacs_docker.py

Fix inverted filenames

2023-03-30 12:03:50 -07:00

gromacs.py

Update gromacs script to add a constant amount of water

2023-03-30 13:50:45 -07:00