[AMBER] parameter "ISTRNG" in PBSA script does not work properly (2nd post)

From: Xioling Chuang <xioling_c.hotmail.com>
Date: Thu, 17 Feb 2011 07:13:53 +0100

Dear Developers,
This is the 2nd post. Please see the message below.
 I am using MM-PBSA in amber9 to calculate the binding free energy. When I set PB=1 and ISTRNG=0, I obtained exactly the same PB energy as setting ISTRNG=100.0 (i.e. 0.1 M). Any suggestion? However, the parameter SALTCON of GBSA works properly.

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Received on Wed Feb 16 2011 - 22:30:03 PST
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