[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
calculated?
Ahhh, and mi GROMACS version is 3.2.1.
thanks and best regards
--
Leonardo A. Sepúlveda Durán
Bioquímico
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