What will happen if pbc=full is used?
2008/4/4 maria goranovic <[EMAIL PROTECTED]>: > Dear All > > I am running a 128-lipid bilayer simulation with standard parameters. The > simulation abruptly crashed after 2 ns, and a look into the pdb files > suggested that bonds were being broken and eventually the lipids explode. I > tried increasing the cutoffs from 1.0 to 1.4, and this time also, the > simulation exploded, but at a different time point. > > The energy remains nice and stable till the explosion. > > How does one fix this ? What is planting these bombs ? > > Thank you for suggestions. > > -- > Maria G. > Technical University of Denmark > Copenhagen > _______________________________________________ > gmx-users mailing list [email protected] > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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