[MMTK] is MMTK a superset of MDTools?

Konrad Hinsen hinsen@cnrs-orleans.fr
Wed, 16 Jun 1999 12:17:34 +0200


> ugly). I've got lots of phospholipid parameter files from my EGO 
> days I'd love to use with MMTK. Alternatively, a parallel CHARMm 
> force field engine would be a fantastic thing to have.

I am reasonably confident that MMTK will have a parallelized force
field evaluator in the not too remote future. Implementing CHARMM is a
different matter; technically it should be an easy task, but I'd need
a precise description of the force field, which I have never seen.

Konrad.
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