AMBER Archive (2004)

Subject: Re: AMBER: Temperature in Nmode

From: ML (lepsik_at_uochb.cas.cz)
Date: Tue Feb 10 2004 - 14:46:19 CST

Dear Dr. Case,
what a beauty in simplicity! Thank you very much!

It definitely SHOULD go to the manual!

Regards,

       Martin

David A. Case wrote:

>On Tue, Feb 10, 2004, ML wrote:
>
>
>
>>I found that default temperature for nmode is 298.15. How do I change
>>this to 300K?
>>
>>
>>
>
>You can set the variable "t" in the &data input to the temperature you
>want. (Somehow, this never made it into the manual.)
>
>...regards...dac
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-- 
-----------
Martin Lepsik
Dept. of Molecular Modeling
Institute of Organic Chemistry & Biochemistry
Czech Academy of Sciences
phone: +420-220 183 540
fax:+420-220 183 292
e-mail:lepsik_at_uochb.cas.cz

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