Re: AMBER: Dummy Atoms: How to create them?

From: David A. Case <>
Date: Tue, 11 Jan 2005 21:54:02 -0800

On Wed, Jan 05, 2005, Ilyas Yildirim wrote:

> For atom: .R<C 14>.A<DH1 31> Could not find type: DU
> For atom: .R<C 14>.A<DH2 32> Could not find type: DU
> Parameter file was not saved.
> --------------------------------------------------------------------
> Does that mean that there is no dummy atom type defined in leaprc.ff99?


> If not, how should I define it? Creating an frcmod file?


  We are hoping to get a detailed tutorial out soon. Until then, you
will have to do some experimenting to see how dummy atoms work in free energy


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Received on Wed Jan 12 2005 - 06:53:00 PST
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