Re: AMBER: constant energy simulation

From: Lishan Yao <yaolisha.pilot.msu.edu>
Date: 13 Aug 2003 09:00:20 -0400

I removed the rotational motion before I do the frequency analysis.

Lishan

On Tue, 2003-08-12 at 18:39, Xavier Periole wrote:
> There is probably an option in AMBER to remove the motion/rotation of the
> molecule ! This is often used in MD simulations.
>
> XAvier
>
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-- 
Lishan Yao <yaolisha.pilot.msu.edu>
MSU
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 13 2003 - 14:53:01 PDT
Custom Search