[gmx-users] inconsistent shifts

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 8 19:52:40 CEST 2008

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.
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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.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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