[AMBER] 2011Äê7ÔÂ20ÈÕ 19:53:32 ×Ô¶¯±£´æ²Ý¸å

From: zhouhaibin2008.ok <zhouhaibin2008.ok.163.com>
Date: Tue, 2 Aug 2011 16:20:53 +0800 (CST)

Hi,All

I want to use the 'PRESS' value in the sander output file , but I don't known what the value stand for .For example, I set the PRES0 = 1.0 in the sander input file , but in the output file , I find the 'PRESS' values are different ( like 299 , -278 ). I want to directly use 1.0 as the press value , ignoring other values in the output file ,is it right ?

 Thank you in advance!
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Received on Tue Aug 02 2011 - 01:30:02 PDT
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