AMBER Archive (2002)

Subject: Re: Dummy atoms...

From: David A. Case (case_at_scripps.edu)
Date: Wed Oct 23 2002 - 11:35:31 CDT

On Wed, Oct 23, 2002, Miguel de Federico wrote:
>
> > saveamberparm c6x 20c6x.top 20c6c.crd
> Checking Unit.
> Building topology.
> Building atom parameters.
> For atom: .R<c6x 1>.A<D20 5> Could not find type: DH

The dummy atoms would be defined in the frcmod file you must create for
perturbations like this. Make sure you have performed a command like:

dummyparms = loadAmberParams frcmod

You can then use the "desc" command in LEaP to see if things got read in OK.

..good luck....dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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