On Wed, 2014-05-14 at 13:00 +0100, Marc van der Kamp wrote:
> Just a minor addition to Jasons answer:
> There is one type of MM parameter that is not irrelevant for the QM atoms:
> the non-bonded van der Waals parameters. These are used for the van der
> Waals interactions between MM and QM atoms.
> For most purposes, the atomtyping done by antechamber should be sufficient.
An important clarification. Thanks.
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed May 14 2014 - 05:30:04 PDT
