[AMBER] errors of energy decomposition

From: fancy2012 <fancy2012.yeah.net>
Date: Wed, 21 Jul 2010 14:20:30 +0800 (CST)

Dear amber users,
There is an error when I do energy decomposition. I find that all the values of SGBDUR, BGBSUR and TGBSUR derived from decomposition are zero. I can't figure it out, could somebody give me a hand? I will highly appreciate that! Thanks!
 
The attached files are input and out put files of decomposition for you to check!
All the best,
fancy

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Received on Tue Jul 20 2010 - 23:30:03 PDT
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