Hi everybody,
I am simulating a peptide in a box of water with differentconcentration of water. The system has about 14000 molecules of water. The runningof NVT and NPT simulation last about 1 hour with the time step of 100 ps. When therunning is completed I check the diagram of temperature and pressure and theyare ok and stable. Now I don’t know whether the time of running (about 1 hour)is correct or it should be longer than an hour. Thank you, Mohammad. -- 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.
