hi mark, Same doubt in the following thread. https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2016-May/106078.html
with epsilon_-surface =0, simulation runs fine. The problem starts when I give it a value. My model has only protein and doesn't have anything other than that. Moreover, i have read the .mdp file, as you have mentioned in the previous threads. thank u Meagha On Mon, Sep 11, 2017 at 9:53 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > Clearly the .mdp file changes you say you are making aren't showing up > later in wherever you are observing a 1.12, but we'll need to see a lot > more detail of your process - e.g. command lines with the file names - to > suggest what might be wrong. That means you need to be able to copy and > paste them from a terminal or script, or you won't generally be able to > reconcile what you think you did with what you actually did. > > Mark > > On Mon, Sep 11, 2017 at 9:51 AM Mark Abraham <mark.j.abra...@gmail.com> > wrote: > > > Hi, > > > > Change the mdp file and use that file to make a new tpr file and that the > > file to run a simulation. > > > > Mark > > > > On Mon, 11 Sep 2017 08:21 Meagha ramana kumar <meag...@gmail.com> wrote: > > > >> Hi gmx-users, > >> > >> My problem may sound silly, but please help me with it. I know how to > >> change dielectric constant for simulation. Yes I have read all the > previous > >> thread reading this and no one provided straight answer to this. I am > using > >> PME. I tried changing all the epsilon values but nothing helped and I > get > >> 1.12. will be thankful , if you guys help me out. > >> > >> Thank you > >> Meagha > >> > >> > >> Sent from Mail for Windows 10 > >> > >> -- > >> 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. > -- 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.