Re: AMBER: xleap with modified residue

From: David A. Case <case.scripps.edu>
Date: Mon, 24 Oct 2005 10:36:40 -0700

On Mon, Oct 24, 2005, Whitney Allen wrote:
>
>
> source leaprc.gaff
> loadmol2 sustiva.mol2

You have to type: "SUS = loadmol2 sustiva.mol2"
(See http://amber.scripps.edu/doc8/errata.html, look for "p. 83".)

....dac

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Received on Mon Oct 24 2005 - 18:53:00 PDT
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