Dear users, I am trying to run a coarse grained simulation of a membrane protein in a mixed lipid billayer using martini model 2.2. I have already performed all the equilibration steps successfully on my desktop with GROMACS 5.1.0. However, when i try to execute its production run in parallel(having gromacs 5.1 version installed) it complains of LINCS warning and terminates at step 0. But on the contrary, it runs on the desktop successfully. Kindly suggest something and please let me know if any more information is required from my side.
Thanks!! Kind Regards, Antara -- Junior research fellow(project) Systems biology group CSIR-Institute of Genomics & Integrative Biology South Campus New Delhi - 110020 M : +91-9717970040 -- On Fri, May 13, 2016 at 11:11 PM, Antara mazumdar <antara.mazum...@igib.in> wrote: > Dear gromacs users, > > I am trying to run a coarse grained simulation of a membrane protein in a > mixed lipid billayer using martini model. I have already performed all the > equilibration steps successfully on my desktop. However, when i try to > execute its production run in parallel it complains of LINCS warning and > terminates at step 0. But on the contrary, it runs on the desktop > successfully. Kindly suggest something and please let me know if any more > information is required from my side. > > > Thanks!! > > > > Kind Regards, > Antara > > -- > Junior research fellow(project) > Systems biology group > CSIR-Institute of Genomics & Integrative Biology > South Campus > New Delhi - 110020 > M : +91-9717970040 > -- > > > -- 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.
