Thank You Mark for the reply. The error comes during the npt equillibration step only and not during the nvt equillibration step. I have successfully done 1-ns of nvt equillibration.
--- -- Original Message ----- From: "Mark Abraham" <[email protected]> To: [email protected] Sent: Tuesday, March 7, 2017 2:32:46 AM Subject: Re: [gmx-users] domain decomposition Error Hi, There's good advice for this problem at think link that was suggested in the error message: http://www.gromacs.org/Documentation/Errors. Probably your box volume or NpT protocol need some attention. Mark On Tue, 7 Mar 2017 06:23 shweta singh <[email protected]> wrote: > Thank you ! > > On Tue, Mar 7, 2017 at 9:47 AM, MRINAL ARANDHARA < > [email protected]> wrote: > > > I am trying to run a lipid bilayer simulation but during the npt > > equillibration step I am getting the following error > > "1 particles communicated to PME rank 6 are more than 2/3 times the > > cut-off out of the domain decomposition cell of their charge group in > > dimension y" > > I have successfully run the NVT equillibration.What may be 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 [email protected]. > > > > > > -- > > --Thanks and Regards-- > > Shweta Kumari > M.Sc. Bioinformatics > Central University Of South Bihar, Patna > > Project Assistant > Computational Structural Biology lab > CSIR-Institute of Genomics and Integrative Biology > Mathura Road, Sukhdev Vihar > New Delhi 110025 > India > > E-mail Id : [email protected] > Alternate e-mail id : [email protected] / [email protected] > Mobile No. 8409033301 > -- > 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]. > -- 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]. -- 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].
