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 !
Best,
Jinfeng
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Received on Tue Dec 01 2015 - 18:30:03 PST
