By the way, why does this vector change during simulation? What if I use >> exactly the same vector for my whole >> simulation? >> >> > This is the function of pressure coupling. If you keep the box vectors > fixed, that is an NVT simulation.
Aaaah, very well then. Thank you for explaining that! Best wishes, Dawid -- 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.
