GMX lie not reading energies
This issue was seen about a year ago by another user, but I've also recently noticed that gmx lie is failing to grab the ligand-protein interaction energies from the supplied EDR file, despite supplying the string for -ligand correctly when calling it. I'm not entirely sure what string it looks for, but I've tried generating EDR files with 'LIG-Protein' and 'LIG-rest', neither seem to work. I noticed a comment in 2020.6 gmx_lie.cpp saying 'Skip until we come to pressure', but with custom energygrps specified in the MDP file, no pressure terms are in the resultant EDR file (at least when reading with gmx energy).