Hi, Dave
Thanks for the reply. I had the type defined in frcmod (as well as all
related parameters). Is this equivalent to issuing addAtomTypes command?
Guanglei
David A. Case wrote:
>
>
> You are probably OK, but should really do two things: (1) use addAtomTypes
> to tell LEaP about the zinc atom; (2) hand-check that the torsions involving
> the zinc have the values you want them to have.
>
> ...good luck...dac
>
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Received on Mon Apr 19 2004 - 18:53:01 PDT
