On Thu, Sep 17, 2009, Scott Brozell wrote:
>
> ACML has BLAS, but not CBLAS according to what I heard.
BLAS and CBLAS are the same thing, just implementations of the BLAS API using
different languages. So, there would not be any need to combine ACML and
CBLAS.
>
> The idea behind sff was the nab-language-less stuff of nab that
> might be useful to other programs. So there's some probably small
> gain by keeping it to one programming language.
I agree.
> With Chimera and the Amber score prep changes in 6.3 one can avoid mopac
> in DOCK per se.
How does this work? That is, how are the ligand charges calculated?
...dac
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Received on Thu Sep 17 2009 - 10:30:01 PDT
