[gmx-users] dielectric constant -reg

Mark Abraham mark.j.abraham at gmail.com
Mon Sep 11 18:23:18 CEST 2017


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.


On Mon, Sep 11, 2017 at 9:51 AM Mark Abraham <mark.j.abraham at gmail.com>

> 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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