AMBER Archive (2004)

Subject: Re: AMBER: antechamber

From: David A. Case (case_at_scripps.edu)
Date: Thu Jul 15 2004 - 18:30:26 CDT

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

> I have another question, for a protein comlexed with ATP, the xleap can't
> recognize the ATP, do I need to process the ATP as an usual molecule using
> antechamber?

You could do that, but check the "contributed parameters" page (link from
the Amber web page.) That has parameters from Heather Carlson's group and
references to the paper they published on this. Such parameters should be
better than what you will get from antechamber.

...good luck...dac

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