[AMBER] Information regarding how to group atoms for ionic liquid

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From: dhilip kumar ramalingam <dhilipmaths123.gmail.com>
Date: Wed, 3 Feb 2010 14:40:31 +0530

Hello Dear Amber users,

I am running simulation on Ionic Liquid named* 1-n-Butyl-3-methylimidazolium
Hexafluorophophate*, is there any method to group atoms into atom types so
that lenard Jones Potential will match, I am using standard Protocol from
the Paper attached, Please let me know about how to group atoms to match
with lenard jones Potential so that I can further proceed for simulation in
AMBER.

Looking forward for Kind Help,

Thanks in advance,

With Regards,
R.Dhilip kumar
Computational Biophysics Lab
Department of Biotechnology
IIT Madras
Chennai-600036

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application/pdf attachment: Molecular_Dynamics_Study_of_the_Ionic_Liquid_1-n-Butyl-3-methylimidazolium.pdf

Received on Wed Feb 03 2010 - 01:30:02 PST