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
> >
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> > http://lists.ambermd.org/mailman/listinfo/amber > >
>
>
>
> --
> Thanks & Regards;
> Soumendranath Bhakat
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http://lists.ambermd.org/mailman/listinfo/amber Received on Tue Jul 22 2014 - 20:00:03 PDT
