Justin Lemkul wrote > The .cpt file stores information related to output frequency. The > existing.cpt > file designates output every X steps, while the new .tpr file specifies > output > every Y steps, and X != Y, so mdrun complains. I'm assuming mdrun aborts > at > that point? Have you tried with -noappend?
The information on the extending simulations page does not seem to agree with what you just said above. It says : If you wish/need to change .mdp file options, then either grompp -f new.mdp -c old.tpr -o new.tpr -t old.cpt mdrun -s new.tpr or grompp -f new.mdp -c old.tpr -o new.tpr mdrun -s new.tpr -cpi old.cpt should work. I am simply changing the mdp file options so the difference in output frequency shouldn't actually cause mdrun to abort. Justin Lemkul wrote > The analysis tools will complain, anyway. Whenever a program encounters a > non-uniform frame interval, it aborts, IIRC. I am not planning on using most of the Gromacs analysis tools either way, so hopefully this won't be too much of a problem. -- View this message in context: http://gromacs.5086.x6.nabble.com/Is-non-linear-data-output-storage-possible-tp5008858p5009866.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
