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.
