Re: Leap to prep

From: <>
Date: Mon, 3 Mar 2003 15:03:25 -0800 (PST)

presuming your unit has been named "a":

set a.1 connect0 a.1.XX
set a.1 connect1 a.1.YY

where "a" is the unit, "1" is the reside and XX/YY are the
atoms that will connect to the previous/next residues (if
and when you build this residue into a chain). If your residue
is not going to be in a macromolecule, you can use any atom
in the residue for XX/YY.


On Mon, 3 Mar 2003, Dominico J Vigil wrote:

> Hi, I am trying to build a cyclic-AMP molecuole in xLeap and save it in
> the older prep format. I use the command saveamberprep but it says I need
> to define connect0 and connect1 atoms in order to do this. does anyone
> know how to do this?
> Thank you,
> Dom Vigil

James W. Caldwell                         (voice) 415-476-8603
Department of Pharmaceutical Chemistry    (fax)   415-514-3866  
UCSF Box 2240                             (email)
600 16th Street
University of California
San Francisco, CA 94143-2240
Received on Mon Mar 03 2003 - 23:53:01 PST
Custom Search