Absolute free energy calculation with Gromacs

This blog will be updated later to show a detailed protocal of how to calculate ABFE by Gromacs.

Posted by Quantao on April 19, 2021

My github notebook for absolte free energy calculation with Gromacs

If you can't use google to download the run.sh and analysis python script, you could get these two files here(may be right click and save it):

run.sh

cp_xvg.sh