Hi, Back up your files and try it :-) You will see that mdrun refuses to append if you change -deffnm. So either don't append or don't change the name.
Mark On Mon, Apr 3, 2017 at 8:09 PM ZHANG Cheng <272699...@qq.com> wrote: > (Following Justin's suggestion) > > > Dear Gromacs Researchers, > My old.mdp only sets 10 ns of simulation. Now it has finished, and I want > to extend it to 100 ns. > > > As shown on > http://www.gromacs.org/Documentation/How-tos/Extending_Simulations > > > Should I use the following two lines of code for the files in the same > folder? > If the "deffnm" is set correctly? > But in this case, will the new simulation still only have 10 ns? > > > convert-tpr -s previous.tpr -extend timetoextendby -o next.tpr > gmx mdrun -deffnm next -cpi previous.cpt > > > > Thank you. > > > Yours sincerely > Cheng > -- > 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. > -- 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.
