On Mon, Oct 28, 2002, Wiktor Jurkowski wrote:
>
> How it's possible to make use of the old "crd" and "top" files
> generating new system with leap (e.g. expanding amount of atoms in the
> old one by adding water and counterions). Sorry if my question seems to
> be trivial but I've searched manual and found nothing :-). Should I
> create pdb file using another program and then read it into the leap or
> is there any other way?
There generally is not other way...you should make a pdb file, then re-run
LEaP.
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_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 Mon Oct 28 2002 - 13:44:28 PST
