Re: [gmx-users] using rerun to extract energies for protein from trr file

Siavoush Dastmalchi wrote: Dear list, I am trying to extract energy profile for a protein molecule using rerun program from trajectory obtained by MD of protein solvated in a water box. I have created index file and reedited the original mdp file (removed the SOLs from it) to get a new tpr fi

[gmx-users] using rerun to extract energies for protein from trr file

Dear list, I am trying to extract energy profile for a protein molecule using rerun program from trajectory obtained by MD of protein solvated in a water box. I have created index file and reedited the original mdp file (removed the SOLs from it) to get a new tpr file using grompp. I have extra