[gmx-users] Inconsistent shifts

Ramesh Singh rsingh7 at lsu.edu
Tue Nov 11 23:27:20 CET 2008


I am a new Gromacs user.I am trying to study the adsorption of proteins
on graphite surface.In mdp file I took the option pbc=full. When I am
running a simulation for 5 ns, I am getting the output with out any
warning. But when I am analysing the results using h_bond , g_gyrate and
do_dssp, I am getting the following warning.

There were 900 inconsistent shifts. Check your topology.

 I think that my topology-file for infinite graphite surface is correct
and I
would like to know what does this "warning" really mean and can I trust
results  anyway?


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