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.
Thanks & regards,
Saugata
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Received on Tue Apr 16 2013 - 15:00:03 PDT
