AMBER Archive (2007)

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

From: Chris Moth (chris.moth_at_vanderbilt.edu)
Date: Thu Aug 23 2007 - 12:07:30 CDT

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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu