AMBER Archive (2004)

Subject: Re: AMBER: building a small molecule

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Tue Oct 05 2004 - 12:15:00 CDT

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_at_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_at_u.washington.edu
________________________________________________________________

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