Re: AMBER: Is the MD simulation normal

From: Shulin Zhuang <>
Date: Mon, 30 May 2005 22:39:50 +0800

Dear Prof. Duan and Prof. Ross,

I know, for this MD, I should check out whether there exists the
sampling problem. Therefor, according to your constructive advice, I
plan to do another two NPT using the restrt file generated by the
former NVT MD .

 I will choose two ig value, one( such as 500) is lower than the
default value(71277), and one is much larger , such as 200,000. The
tempi = 300K. Are the two ig value ok?

Best regard!

   Shulin Zhuang
Chemistry Department 
Zhejiang University PRC
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Received on Mon May 30 2005 - 15:53:00 PDT
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