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.
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