[AMBER] regarding per residue decomposition of binding free energy using perl script

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Tue, 21 Jun 2011 22:15:09 +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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 21 2011 - 10:00:04 PDT
Custom Search