AMBER Archive (2004)

Subject: Re: AMBER: xleap console message

From: Guanglei Cui (
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?


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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