On Tue, Apr 16, 2013 at 5:46 PM, Saugata Hazra <saugata.iitk.gmail.com>wrote:
> Hi Jason,
>
> I have updated and reinstalled AmberTools 12 according to your suggestion.
> But that apparently could not solve the problem I was facing ( vast
> difference in energy values of PB and GB calculation) as the results
> obtained after the update is identical. Any suggestion for the further
> proceedings?
>
> I have attached the test log file which has been created after installation
> of AmberTools 12, just to confirm if I had done the correct thing.
>
What does the following command print out:
cd $AMBERHOME && ./patch_amber.py --patch-level
return?
>
> Thanks & regards,
> Saugata
>
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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 Apr 16 2013 - 18:30:03 PDT
