[MMTK] Normal Modes for protein complexes

Kenneth Geisshirt kenneth@geisshirt.dk
Wed, 27 Feb 2002 15:28:05 +0100 (CET)


On 27 Feb 2002, Konrad Hinsen wrote:

> Parallelization is still limited to energy evaluation, so it gives an
> advantage only for MD and minimization. And it's done by data
> replication, which means only a small number of processors.

So the normal mode calculation will only run on a single processor?
Actually, I'm also borrowing a 8 cpu (PIII only) computer at Compaq.

> As for 64 bit ports, well, it's C code, just compile it... MMTK works
> fine on Alphas, for example. I haven't tried the Itanium though.

Great - I'll report!

Kneth

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Kenneth Geisshirt, M.Sc., Ph.D.         http://kenneth.geisshirt.dk
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