AMBER Archive (2002)

Subject: leap - sander information flow

From: Wiktor Jurkowski (ucjurkow_at_cyf-kr.edu.pl)
Date: Mon Oct 28 2002 - 06:34:51 CST

Dear all,

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?

Any answer is appreciated.

Wiktor