> > Thanks so much for the answer. > I have one more doubt. Could you please answer? > I could make the change and run, but still the following line in the log > file, "Starting time for run is 0 ps" (BLUE color), appears > controversial to me.
If you use grompp to do the restart, your .mdp file has a parameter that is setting the initial time to zero. If you want to use grompp thus, you need to use a different .mdp for simulation restarts compared with your restarts after equilibration. Using tpbconv for restarts doesn't have this problem. Reading and understanding the relevant manual sections about what each command in your .mdp file actually does, would also avoid this problem, and probably dozens of others. Why is it, I wonder to myself rhetorically, that every second reply I make on here suggests somebody read the manual/man pages/web pages/original literature??? :-) Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
