Hey,
Just as a very minor point, in AMBER11 the manual used to state for the GPU
section that gbsa other than 0 was not supported on the GPU. In the AMBER
12 manual this is gone, which led me to think that it was now supported,
but I just tried it and get:
CUDA (GPU): Implementation does not support GBSA method.
Require gbsa == 0
~Aron
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Tue Aug 07 2012 - 12:00:02 PDT
