RE: Urea and GdHCl parameters

From: Ahmet Bakan (abakan_at_ku.edu.tr)
Date: Mon Mar 15 2004 - 13:15:18 CST

Hi Ruxanda,

I have some topology files, one for Dimetyl Urea and necessary parameters.
Parameters are derived from similar parameters for amino acids and some from
COMPASS forcefield. Also, there is a guide for topology file and parameter
generation. You can try those materials and let me know if I can help
further.
http://home.ku.edu.tr/~abakan

Ahmet

==========ABC==========
Ahmet Bakan
Chemistry, Junior
Koc University
abakan_at_ku.edu.tr
ICQ #86167698
http://home.ku.edu.tr/~abakan
 
-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Ruxandra Dima
Sent: Monday, March 15, 2004 8:02 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Urea and GdHCl parameters

Hi All,

Does anyone know where from can I get the topology file and energy
parameters for Urea and Guanidinium Hydrochloride (to use with NAMD)?

Thank you in advance,

Ruxandra

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