On Mon, Feb 02, 2004, Dave S Walker wrote:
> I think this is a simple question, yet it has remained elusive:
> For the "setbox centers" command in xleap, what is the syntax when I want
> to manually define the dimensions of the enclosed box?
>
To manually set the box dimensions, you want the "set" command, not the
"setBox" command. (I know that this is not very intuitive....). For
example
set <UNIT> box { 25.0 30.0 35.0 }
Here, <UNIT> is the name of your entire system, and the above example
would create a box with x,y,z dimensions of 25,30 and 35 Angstroms.
(Check the bottom of the coordinate (prmcrd) file that you create to make
sure it did what you want.)
...good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Thu Feb 05 2004 - 18:53:00 PST
