Dear Gromacs-users, I have claculated pressures for a trajectory using g_energy. However, the average pressure that is calculated by the program automatically is quite different from the value I get when I average over the data in the output file that was generated by g_energy. So is the output correct or faulty?
I have checked the mailing list and some users seemed to have the same problem with earlier Gromacs-versions -although I haven´t found any post that reported this for 3.3.1. Best Luther _______________________________________________ gmx-users mailing list [email protected] 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
