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.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
>>
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> --
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>
> Senior Editor. Journal of Physical Chemistry
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>
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Received on Sun Jun 01 2008 - 06:07:16 PDT
