[gmx-users] Issue with g_energy

Gene Polovy gpolovy at gmail.com
Wed Jun 2 03:09:09 CEST 2010

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,



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