From: Axel Kohlmeyer (
Date: Wed Jun 09 2010 - 07:11:11 CDT

On Wed, 2010-06-09 at 12:33 +0200, David Li wrote:
> Dear Dr. Axel Kohlmeyer,
> Thanks for your quick reply. I don't doubt about the validity of the
> water box but just want to know the very basic information about it.

what else do you want to know?

> Could you please give me more instruction? I mean if I want to build
> such a water box, what should I start from?

why would you want to build a different one?
there is nothing magical about it. you just
set up a regular bulk system MD: you generate
some initial coordinates, randomize them, do
an equilibration MD and you're done.


> Thank you.
> Ardie

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.