Re: SMD under NPT ensemble

From: Wang Yi (dexterwy_at_gmail.com)
Date: Mon Mar 19 2012 - 10:20:07 CDT

There are instructions on how to do SMD in NAMD, using either the configuration file or the latest ColVar technique.

You can find them in the NAMD manual online.
___________________________

Yi (Yves) Wang
Duke University

On 2012-3-19, at 上午11:12, raghav singh wrote:

> Hello All,
>
> I wanted to know about SMD simulation using NPT ensemble...
> NAMD has this freedom or not... any suggested article would be off great help.
>
> Thank You all
>
> regrads
> Raghav

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