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.yahoo.co.in
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Received on Tue Oct 05 2004 - 10:53:01 PDT
