[gmx-users] question about g_energy and frames

Leonardo Sepulveda leonardosepulveda at gmail.com
Thu Nov 18 17:55:47 CET 2004

Hello list!!!

I wrote a Perl script  to launch g_energy , g_rms, g_girate and g_sas,
read the resulting .XVG files and write a table with the values of the
properties together. g_rms, g_girate and g_sas have the same format,
it gives a list of values for each frame of the trayectory .
Nevertheless when i run g_energy with this comand line

              g_energy -f ener.edr -o energies.xvg

the .xvg file i obtain have the values for each time step calculated
(or at least a lot of timesteps more than the frames in the
trayectory). Does anybody knows how to obtain a .xvg file with only
the  values of the frames in the trayectory and not all the steps

Ahhh, and mi GROMACS version is 3.2.1.

thanks and best regards

Leonardo A. Sepúlveda Durán

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