Thanks David. There still "inconsitent shifts" warnings with a tpr made by pbc=xyz. By the way, my itp file is not changed, that is, the bonded terms between periodic images are still in the topology. Should I make a topology with pbc=xyz too?
> > Bert wrote: > > Hi all, > > > > I use pbc=full in my system, and all runs are ok except for the > > "inconsistent shifts" warnings when I use some analysis tools, such as > > g_density, g_densmap, etc. I have searched the whole list related to > > this problem, and I doubt several analysis tools are not coded with > > consideration of full pbc. Am I right? If so, how to deal with these > > warnings? Thanks in advance. > > make a tpr with pbc=xyz for analysis. > > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > 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 [EMAIL PROTECTED] > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > David van der Spoel, Ph.D. > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se >
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