AMBER Archive (2004)

Subject: Re: AMBER: xleap console message

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Mon Apr 19 2004 - 12:11:11 CDT

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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