Berk, if I need the average values between 0...N, N...2N, etc - what is the convenient way to get them automatically (in energy.xvg)?
Thank you, Vitaly >To be more precise, it writes both the current values and >the sum over the >steps >to let g_energy print exact averages. -- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
