Dear Justin, WIll you please give a reply for the following question? Most probably I need to restart my MD from the beginning?
Brett At 2016-04-05 17:18:31, "Brett" <[email protected]> wrote: Dear All, After energy minimization and equilibration, I started a 10 ns production MD. By accident the production MD stopped at 450 ps (which produced md_0_1.trr), and I continue the production MD from the previous 450 ps point (which produced md_0_1_from0.45to10ns.trr). Then by gmx trjcat -f md_0_1.trr md_0_1_from0.45to10ns.trr -b 2330 -e 2331 -o md_0_12330psto2332ps.trr, I tried to get 2330-2331 frame trr file. However although I got the md_0_12330psto2332ps.trr, GROMAS gave a strong warning message: WARNING: Incomplete frame: nr 234 time 468 Will you please advise whether my " md_0_1_from0.45to10ns.trr" was totally broken and whether I need to restart my production MD? And why I got the incomplete frame? Brett -- 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 [email protected].
