[gmx-users] call for help
caozhen8549 at mail.nankai.edu.cn
Fri Apr 11 08:58:52 CEST 2008
I have some problems with the "gmxdump" order. How to transform the traj.trr to
another readable file every two steps? In another word, there are 10000 frames in
the traj.trr file. I would like to transform datas every second frame in the
traj.trr to another readable file. How to deal with it?
It is known that the "g_energy -f" order could write the Potential Kinetic
energy into a energy.xvg file. I am not sure whether or not this energy containing
the energy of thermostat? If so, how to output the enery of the ensemble without
Thank you very much in advance.
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