Dear Dallas, I have tried the 2016.5 version of gromacs that it has the same warning about the inconsistent shifts. I don't know why it should arises as a warning and what is the problem. Is there another way to fix this warning?
Sincerely Iman On Wed, Feb 21, 2018 at 11:26 AM, Iman Ahmadabadi < [email protected]> 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 < > [email protected]> 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 [email protected].
