Dear gmx users
My system is a single amino acid in water. I use two stage equilibration : NVT (300 k) and NPT (300k , 1 barr) with position restrain. NPT simulation were done for 2.4 ns and 1.14 barr was obtained for pressure. but density is 974.031 . is this reasonable? should i change the NPT simulation time? thanks in advance. -- 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
