AMBER Archive (2002)

Subject: Re: your mail

From: David Case (case_at_scripps.edu)
Date: Sat Apr 20 2002 - 11:06:32 CDT

On Fri, Apr 19, 2002, deepak rangaswamy wrote:

>
> How will i incorporate the charges derived from RESP
> to the Leap input of Amber6 ?

In xleap, you will need to edit your residue, then select "edit selected
atoms" from the pull-down menu. You will get a spreadsheet-like window
into which you can enter charges.

This procedure is now automated in the "antechamber" suite in Amber 7.

...good luck...dac 

-- 

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