Hi There, I'm trying to use g_energy to print the potential energy from my ener.edr binary to a text file. I have 1001 snapshots in my simulation and should have a corresponding 1001 energies (according to my .mdp file). I ran the command
g_energy -f ener.edr, selected option 8 (potential energy) followed by a 0, and got an .xvg file with only 880 energy values. Then, I ran the command several more times and got a higher number of energy values outputted each time. Eventually, I got 1007 energy values and I only have 1001 frames! Is my run command incorrect or has anyone else had these problems with g_energy? Thanks in Advance, Gene -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
