[AMBER] regarding per residue wise free energy decomposition

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Wed, 22 Jun 2011 10:27:05 +0530

Dear All,
This is regarding the per residue decomposition using perl script. I have
got the output result without any error but the value of non polar solvation
energy term *i.e. *SGBSUR, BGBSUR and TGBSUR* *are zero for protein,
ligand, complex and delta as well.*
*




Considering the fact that it will affect the true decomposition
contribution, please suggest me the mistake I am doing. Please find the
attached input and output files.

Thanks and Regards,
Hirdesh Kumar


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Received on Tue Jun 21 2011 - 22:00:03 PDT
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