Dear Justin, I used following:
continuation = no, in nvt.mdp (first md run, 500 ps) continuation = yes, in npt.mdp (second md run, 1000 ps). Is my manner wrong? -- 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.