Mathew,
please look into the antechamber module of amber. It was designed for
this purpose.
Oliver
mathew k varghese wrote:
> 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
>
> Yahoo! India Matrimony
> <http://in.rd.yahoo.com/specials/mailtg/*http://yahoo.shaadi.com/india-matrimony/>:
> Find your life partner online
> <http://in.rd.yahoo.com/specials/mailtg2/*http://yahoo.shaadi.com/india-matrimony/>.
>
>
--
________________________________________________________________
Oliver Hucke, Dr.
Biomolecular Structure Center Health Sciences Building - K418C
Dept. of Biochemistry 1959 NE Pacific St.
University of Washington phone: (206) 685 7046
Box 357742 fax : (206) 685 7002
Seattle, WA 98195-7742 email: ohucke.u.washington.edu
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Received on Tue Oct 05 2004 - 18:53:00 PDT
