Hi, As far as I know nothing relevant should have changed, but if you would like us to investigate further, please open an issue at https://redmine.gromacs.org/ and attach the .tpr files that used to work and now do not. Your 2018.x .log files might also be helpful.
Thanks! Mark On Wed, Apr 18, 2018 at 3:18 PM Bui, Tai <tai.bui...@ucl.ac.uk> wrote: > Dear all, > > I am using gromacs version 2018 and 2018.1. However I figured that when I > freeze a group of atoms/molecules (water) using freezegrps (NVT ensemble), > the frozen atoms kept moving and the simulation terminated due to too many > LINCS warnings. This problem never happened before for previous versions of > gromacs that I used (version 5.*). > > Could you please let me know what happened here and how to fix the > problem? Many thanks! > > Best regards, > > Tai > -- > 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-requ...@gromacs.org. > -- 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-requ...@gromacs.org.