Subject: Waterbox generation in CHARMM

From: "Donald Folami" <paxdof<<at>>nottingham.ac.uk>
Date: Mon, 04 Aug 2003 11:06:46 +0100

I'm new to CHARMM, so pls indulge me.
I have a few TIP3 water CRD files and I'm trying to generate a box (66x44x62angstroms)with periodic boundary conditions. Can anyone pls help me with the scripting this might involve?
Thank you so very much for your time,
Donald Folami.

___________________________________________________
Donald O. Folami
Computational Modelling and Informatics Group
Institute of Pharmaceutical Sciences
University of Nottingham
University Park
Nottingham
NG7 2RD
UK.

Email:   paxdof<<at>>nottingham.ac.uk
Tel:      +44 (0)115 8664272
Mobile: +44 (0)7904 459566