Hi, And follow the advice of the Martini authors for using the Verlet scheme with their forcefield.
Mark On Fri, 23 Jun 2017 17:20 Justin Lemkul <jalem...@vt.edu> wrote: > > > On 6/23/17 11:08 AM, Alex Mathew wrote: > > Dear all, > > > > While running CGMD in GPU i got this error > > > > OpenMP threads have been requested with cut-off scheme Group, but these > are > > only supported with cut-off scheme Verlet > > > > Here can i change the cut-off scheme to Verlet ? > > Amazingly enough: > > cutoff-scheme = Verlet > > in the .mdp file :) > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- > 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.
