[AMBER] questions of decomposition using mm/gbsa

From: fancy2012 <fancy2012.yeah.net>
Date: Sun, 18 Jul 2010 15:01:45 +0800 (CST)

Dear amber users,
I find a question when doing energy decomposition using mm/gbsa. In my result, the total energy of all the residues' individual contributions to binding is less than the binding energy (GBTOT), when I check the output files generated from decomposition, I find the values of SGBSUR, BGBSUR and TGBSUR are zero. I can't explain it, could someone help me figure it out? Thanks very much in advance!
The attached files are for you to check. Thanks!
All the best,
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Received on Sun Jul 18 2010 - 00:30:03 PDT
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