Re: [AMBER] preparation of silver metal parameter file

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Sun, 29 Apr 2012 09:21:13 +0200

Dear Navin Jain,

> I would like to study the interactions of silver atoms (zero charge)
> with a protein molecule. However, I am facing difficulty in preparing
> silver parameter file. In addition, can anyone suggest the best force
> field to study metal protein interactions.

You could use R.E.D. Server Development .
http://q4md-forcefieldtools.org/REDS-Development/

This server handles almost all the elements of the periodic table.
See http://q4md-forcefieldtools.org/REDS-Development/popup/popkeyword.php
   versus
     http://q4md-forcefieldtools.org/REDS/popup/popkeyword.php

A charge of zero for a Silver atom in a protein does not seem
realistic to me...

regards, Francois



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Apr 29 2012 - 00:30:04 PDT