Re: [AMBER] Query regarding mmpbsa output file

From: Bill Miller III <>
Date: Fri, 11 Mar 2011 09:44:32 -0500

Obviously there is no error in the logfile. Have you checked all the other
output files for errors? Based on the logfile, it doesn't look like it
finished calculating the very last step for the ligand. Could the
calculation have ran out of time on the wall-clock?


On Fri, Mar 11, 2011 at 9:24 AM, Hirdesh Kumar <>wrote:

> Hi All,
> I tried to calculate the binding free energy for my protein-ligand complex.
> For the same I followed the tutorial given at amber site. The extraction of
> coordinates was ok, and then I run the binding_energy.mmpbsa. The run was
> fine (as no error in the log file). It calculated the contribution of
> complex, receptor and ligand ( as displayed in the log file). Here I am
> attaching the log file as well. But at last I am not getting *
> snapshot_statistics.out*.
> I am not able to figure out the problem. Suggest me something
> Hirdesh
> _______________________________________________
> AMBER mailing list

Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Fri Mar 11 2011 - 07:00:02 PST
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