Hi, I want to extract the values for potential E, kinetic E, total E, and temperature from the log file so as to plot them versus time. In NAMD it is easy to do that using cat |grep, is there a similar way to do it in GMX
Thanks Rabab Toubar -- 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