Dear Gromacs users I am running a free energy test calculation and using position restraints for all of the system. At the end of pressure equilibration I am getting negative average pressure as below:-
Energy Average Err.Est. RMSD Tot-Drift ------------------------------------------------------------------------------- Pressure -0.292343 1.3 60.9244 8.84635 (bar) I selected 1 bar ref pressure. Why is it going negative how should I fix it? I need your kind suggestions. Thanks in advance. Sadaf -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
