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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--
Thanks & Regards;
Soumendranath Bhakat
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Received on Mon Jul 21 2014 - 02:00:02 PDT
