[gmx-users] Inconsistent Shifts

[Dallas Warren]

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.

https://redmine.gromacs.org/issues/2275
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
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.