Re: leap - sander information flow

From: David A. Case <>
Date: Mon 28 Oct 2002 13:44:28 -0800

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 should make a pdb file, then re-run

..good luck...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Mon Oct 28 2002 - 13:44:28 PST
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