Re: [gmx-users] Do checkpoint files contain energies?

Andrew DeYoung wrote: Hi, If you have time, can you please tell me if checkpoint (.cpt) files contain data on energies? Yes, it does. Suppose I have a checkpoint file check.cpt, which I obtained by using the -cpo flag of mdrun. Now suppose I want to continue the run using a new .mdp file

[gmx-users] Do checkpoint files contain energies?

Hi, If you have time, can you please tell me if checkpoint (.cpt) files contain data on energies? Suppose I have a checkpoint file check.cpt, which I obtained by using the -cpo flag of mdrun. Now suppose I want to continue the run using a new .mdp file (not just extend it, http://www.gromacs.org