Re: [AMBER] regarding per residue wise free energy decomposition

From: Bill Miller III <>
Date: Thu, 23 Jun 2011 16:49:24 -0400

What information was printed in the standard out and standard error files?
Or in your logfile from the calculation? Were there any messages in there
about missing values or anything else to suggest something went wrong?

Also, what version of Amber/AmberTools are you using?


On Wed, Jun 22, 2011 at 12:57 AM, Hirdesh Kumar <>wrote:

> 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

Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Thu Jun 23 2011 - 14:00:05 PDT
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