[gmx-users] Inconsistent Shifts
imanahmadabadi75 at gmail.com
Wed Feb 21 08:56:48 CET 2018
Yes, the system has periodic molecules (periodic-molecules = yes) and the
version of gromacs is 5.1.2. So, I should use for calculating the
properties of the system by gromacs 2016 and newer ones?
On Tue, Feb 20, 2018 at 2:57 PM, Iman Ahmadabadi <imanahmadabadi75 at gmail.com
> Dear Gromacs users,
> In using some commands in gromacs, the sentence "There were 240
> inconsistent shifts. Check your topology" come up on the screen and I don't
> know what is wrong in my topology file, however it calculates correctly the
> features of the system but I would like to know the reason of this warning.
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