>> If I turn this option on, such as: >> >> pcouple=Isotropic >> >> it is said: >> >> >> ERROR 1 [file eq.mdp, line 78]: >> Pressure coupling not enough values (I need 1) >> >> >> WARNING 1 [file eq.mdp]: >> Turning off pressure coupling for vacuum system
You canNOT use pressure coupling without PBC in gromacs. Dr. Vitaly V. Chaban MEMPHYS - Center for Biomembrane Physics Department of Physics, Chemistry and Pharmacy University of Southern Denmark Campusvej 55, 5230 Odense M, Denmark >> >> Setting the LD random seed to 14221350 >> -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
