AMBER Archive (2004)

Subject: Re: AMBER: antechamber

From: David A. Case (
Date: Fri Jul 16 2004 - 11:16:14 CDT

On Thu, Jul 15, 2004, Xin Hu wrote:

> Thank you for the note. There is a problem when I use Carlson's ATP
> parameters. Since the added hydrogen atom names are different from these in
> my ATP.pdb file, when I try to load my ATP, the xleap still complain there
> are a number of hydrogen atom names not found in ATP.prep template. Is there
> an easy way to fix the problem?

Sure: either change the atom names in the library files to match the pdb file,
or change the pdb file to match the library. Your choice.


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