AMBER Archive (2008)

Subject: Re: AMBER: Which is best temperature controlling method

From: sudipta sinha (sudipta.mml_at_gmail.com)
Date: Wed May 28 2008 - 13:02:53 CDT

Hi All,

      Is there Nose-Hoover or Nose-Hoover-chain for temperature controlling
method implemented or not in amber9? Or is it possible to implement
this technique in the amber code? I am wondering to know about
this. It is very important to study dynamical analysis of a system
at constant temperature. I need any suggestions or comments.

regards
sudipta

On Wed, May 28, 2008 at 11:13 PM, Adrian Roitberg <roitberg_at_qtp.ufl.edu>
wrote:

> Hi,
> Dave Means the IG variable I think, NOT igb.
>
> a.
>
>
>
> David A. Case wrote:
>
>> On Wed, May 28, 2008, Reena ..... wrote:
>>
>>> New random no. seed for each restart????? what does this mean?
>>>
>>
>> Please look at the "igb" variable.
>>
>> ...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
>>
>>
> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project
> Department of Chemistry
>
> Senior Editor. Journal of Physical Chemistry
> American Chemical Society
>
> University of Florida PHONE 352 392-6972
> P.O. Box 118435 FAX 352 392-8722
> Gainesville, FL 32611-8435 Email adrian_at_qtp.ufl.edu
>
> -----------------------------------------------------------------------
> 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
>

-----------------------------------------------------------------------
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