VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Jul 30 2007 - 05:05:46 CDT

Hi all,

I was wondering if any of you have tried to randomly add urea to a
protein-water system. I have the topology and parameter files for it.
The first thing that came to my mind was to modify one of the
preexisting tcl scripts (such as the autoionize one) to do the task,
but I'm not very sure that this will work.

All comments are highly appreciated!

Cheers,
Michel