Hi, The implicit solvent support got a bit broken between 4.5 and 4.6, and nobody has yet worked out how to fix it, sorry. If you can run with 1 cpu, do that. Otherwise, please use GROMACS 4.5.7.
Mark On Mon, Jun 18, 2018 at 9:21 AM Chhaya Singh <chhayasingh...@gmail.com> wrote: > I am running a simulation having protein in implicit solvent using amber > ff99sb forcefield and gbsa as solvent . > I am not able to use more than one cpu. > It always gives domain decomposition error if i use more than one cpu. > when i tried running using one cpu then it gave me this error : > "Fatal error: > Too many LINCS warnings (12766) > If you know what you are doing you can adjust the lincs warning threshold > in your mdp file > or set the environment variable GMX_MAXCONSTRWARN to -1, > but normally it is better to fix the problem". > -- > 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.
