Command line python scripts for input generation and analysis for binding free energy calculations using BFEE2 in NAMD.

Origninal BFEE2 references:

(1) DOI: https://doi.org/10.1021/acs.jcim.1c00269

(2) DOI: https://doi.org/10.1038/s41596-021-00676-1

(3) DOI: https://doi.org/10.1021/ct400273t

BFEE2 GitHub resource:

HTTPS: https://github.com/fhh2626/BFEE2.git