Re: GdHCl parameters

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Thu Mar 18 2004 - 17:19:38 CST

This must mean nobody has done it. These compounds are untrivial to
parameterize, especially GndHCl. I couldn't get it to work right even
after 2 years of work...

Its probably time to get your own hands in mud and start playing around :)

Regards,
Brian

On Thu, 18 Mar 2004, Ruxandra Dima wrote:

> Hi again,
>
> I received some feedback regarding my question about Urea parameters.
> Nothing on GdHCl parameters and topology file. Does anyone know of any
> paper that might contain this information?
>
> Thanks,
>
> Ruxandra
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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