Re: AMBER: How to perform MD simulation in NVT ensemble?

From: Chris Moth <chris.moth.vanderbilt.edu>
Date: Thu, 23 Aug 2007 12:07:30 -0500

When I search for "constant volume" in the amber9.pdf manual, I see
numerous hits, most notably the ntb=1 setting.

WANG,YING wrote:
> HI, DEAR AMBER MEMBERS,
> Sorry to bother you! Now I try to perform md simulation of a protein.
> When I search the manual I only can see the regulation of temperature
> and pressure. If I try to perform a "constant temperature and volume"
> dynamics, that is NVT, how can I do? Could you give me some hint?
> Thanks very much!!
>
> Best wishes,
>
>
> --
> WANG,YING
>
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Received on Sun Aug 26 2007 - 06:07:28 PDT
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