[gmx-users] Inconsistent Shifts

Dallas Warren dallas.warren at monash.edu
Wed Feb 21 01:02:36 CET 2018

What version of GROMACS are you using?  Do you have periodic molecules
in the system? i.e. periodic-molecules = yes in mdp file?

Known bug, that has been recently fixed.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On 20 February 2018 at 22:27, Iman Ahmadabadi
<imanahmadabadi75 at gmail.com> wrote:
> 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.
> Respectfully,
> Iman
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