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

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================