[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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