Hi XAvier, Do you use virtual sites? I've seen this when I used virtual sites, large time steps and a system that probably wasn't equilibrated enough. Ran.
XAvier Periole wrote: > > Dears, > > I am experiencing some problems running a few proteins in water > (GROMOS43a1/SPC) > with gmx-4.0.4 using 32 CPUs. > > After some ns lincs warnings appear and eventually the simulation > crashes dues > to too many lincs warnings. > > When restarting the simulation feeding "-cpi md.cpt" to mdrun the > simulation restarts > fine and no lincs warning are reported on the same portion of the > simulation. The > simulation runs again for some ns and the same happens: new lincs > warning appear > and eventually the simulation crashes again. > > Any explanation for this? Any solution? > > Best, > XAvier. > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before > posting! > Please don't post (un)subscribe requests to the list. Use thewww > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
