AMBER Archive (2004)

Subject: AMBER: building a small molecule

From: mathew k varghese (mathew_kvarghese_at_yahoo.co.in)
Date: Tue Oct 05 2004 - 04:01:09 CDT

Dear sir,
 
How can I build a small molecule with its parameters necessary to run minimisation?
I build the molecule using LeAP. But I dont know how to determine the atom types and charges. Please help.
Thanking You
 

/\/\athew

Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
M.G.University
Kottayam, Kerala
India

email mathew_kvarghese_at_yahoo.co.in
Yahoo! India Matrimony: Find your life partneronline.
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