On Thu, Oct 24, 2013 at 9:02 AM, Rasha Alqus
<rasha.alqus.manchester.ac.uk>wrote:
> Dear Amber users,
>
> The error occure during the GB calcualtion. I have attatched the files.
>
You have attached 3 files, none of which help me figure out what went wrong
since the output file does not have an error message and I cannot run the
calculation myself with just these files. If the error message is not in
the output file you sent, then it is likely in the output from MMPBSA.py.
Without an error message, I cannot diagnose the problem remotely.
> Am using ambertools12.
>
How many bug fixes have been applied? The command
cd $AMBERHOME && ./patch_amber.py --patch-level
or
cd $AMBERHOME && ./update_amber --version
will tell you this information.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Oct 24 2013 - 07:30:02 PDT
