[AMBER] How does the collision frequency gamma_ln value affect the temperature in Langevin dynamics

From: jfliu <jfliu.itcs.ecnu.edu.cn>
Date: Wed, 02 Dec 2015 10:07:17 +0800

Dear Amber users,

       Can anyone tell me how the gamma_ln value affects the temperature
in Langevin dynamics during the MD simulation ?
 From the Amber manual, I see it is usually set to 2.0 ~ 5.0 /ps. I want
to know, what value can I use to obtain a more stable temperature during
the MD simulation ? i.e., the larger gamma_ln, the more stable
temperature ? or, the inverse ?

        Any response is appreciated. Thank you very much !


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Received on Tue Dec 01 2015 - 18:30:03 PST
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