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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
