gmx_forcefields

Custom force field extension for GROMACS which is set as GMXLIB.

amber99sb-star-ildn.ff

Added from https://github.com/bestlab/force_fields on 24.02.2022. Combines two 99SB modifications.

• ILDN https://onlinelibrary.wiley.com/doi/10.1002/prot.22711
• STAR https://pubs.acs.org/doi/abs/10.1021/jp901540t?casa_token=5f8_W5ZkyX8AAAAA:JUsmrkJsrKm8d-tQxodC7TmhH49sWIAHya4FXqKlYq40cXNapLmg-DZI_B846_Z35O32OxczbfiPq8I
• Lindorff-Larsen et al. 2012 https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0032131

Install

Add to ~/.bashrc file:

export GMXLIB="/path/gmx_forcefields"