[gmx-users] dielectric constant -reg

[Meagha ramana kumar]

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.abraham at 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.abraham at 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 <meaghar at 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
> >>
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