Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/
GNU Lesser General Public License v2.1
5
stars
1
forks
source link
Add Comparisons of VdW and Electrostatic energies #7