Re: [AMBER] NVT and NPT ensemble

From: Raman Parkesh <rparkesh.gmail.com>
Date: Wed, 23 Jul 2014 08:24:46 +0530

You can see more discussion here
http://comments.gmane.org/gmane.science.biology.gromacs.user/52915







On 21 July 2014 14:25, Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
wrote:

> Please follow this thread to get some insight
> http://archive.ambermd.org/201103/0431.html
>
>
> On Mon, Jul 21, 2014 at 10:17 AM, Sangita Kachhap <sangita.imtech.res.in>
> wrote:
>
> >
> >
> > NVT and NPT are two commonly used ensemble during MD simulation of
> > biomolecules. NPT must be used during equilibration just before changing
> > to constant volume ensemble. So during production run NVT or NPT which
> > one should be prefer and why
> >
> > --
> > Sangita Kachhap
> > SRF
> > C/O Dr. Balvinder Singh
> > BIC
> > IMTECH
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Thanks & Regards;
> Soumendranath Bhakat
> _______________________________________________
> AMBER mailing list
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>
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Received on Tue Jul 22 2014 - 20:00:03 PDT
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