[gmx-users] Inconsistent Shifts

Dallas Warren dallas.warren at monash.edu
Wed Feb 21 22:28:16 CET 2018


Updating to the latest version is always a good idea.

However, the warning you have gotten doesn't actually effect any
results you obtain from running the simulation.  You simulation still
gets completed, doesn't it?  So you can actually ignore it then, and
update to the latest versions of GROMACS at a later time as
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 21 February 2018 at 18:56, Iman Ahmadabadi
<imanahmadabadi75 at gmail.com> wrote:
> Dear Dallas,
> 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?
> Respectfully,
> Iman
> On Tue, Feb 20, 2018 at 2:57 PM, 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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