AMBER Archive (2008)

Subject: Re: AMBER: Temperature controlling method in AMBER

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 03 2008 - 09:56:51 CDT

On Tue, Jun 03, 2008, tinni sona wrote:
>
> I am wondering whether the Nose-Hoover chain thermostating or the 'extended
> phase space' approach implemented in AMBER.

These are not implemented for classical dynamics.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu