[gmx-users] call for help

曹臻 caozhen8549 at mail.nankai.edu.cn
Fri Apr 11 08:58:52 CEST 2008

Hello, gmx-users,

  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
the thermostat? 

Thank you very much in advance.

Best regards,
Cao, Zhen

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