We don't know enough to help here. What program did you use? What error
message if any did you get? What exact commands did you use? What version
of Amber/AmberTools are you using? Try to be as concise and descriptive as
possible (and don't forget that with computers, there's often a big
difference between what you "meant" to do and what you actually did).
I'm guessing any program you used gave you an error message, in which case I
would start there. Look in both stderr and stdout streams.
All the best,
Jason
2011/8/16 Márcio Souza Damaso <msdamaso.yahoo.com.br>
>
> I'm trying to evaluate
> the free energie between a lingand and receptor molecules. The
> generation of trajectories run fine and the calculation of PBSA and
> GBSA seems to be ok, but the process is not acomplished because the
> file with the statistical analisys is not generated. Can anyone give
> me some hint with this??
>
> Very thanks. Márcio
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Aug 16 2011 - 14:30:03 PDT
