AMBER Archive (2008)

Subject: Re: AMBER: AMBER forfield choose

From: Barbault Florent (florent.barbault_at_univ-paris-diderot.fr)
Date: Thu Nov 20 2008 - 08:45:20 CST


Hello,

I think you should use glycam and ff03. This works pretty well. Glycam deals
with carbohydrates efficiently. Biomacromolecules and water are included in
ff03 along with some ions
Hope this will help.

Regards
Florent

Le jeudi 20 novembre 2008, Wang,Ying a écrit :
> Hi, dear all,
> if i want to simulate a system including glycoprotein, protein,
> polysacchride and ions. which forcefiled should i use? gaff?
> Thanks a lot!
>
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-- 

------------------------------------------------- Dr Florent Barbault Maitre de conferences

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Universite Paris Diderot Laboratoire ITODYS 15 rue Jean de Baïf, bâtiment Lavoisier 75013 Paris FRANCE http://www.itodys.univ-paris7.fr/ tel : (33) 01-57-27-88-50 e-mail : florent.barbault_at_univ-paris-diderot.fr ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" (in the *body* of the email) to majordomo_at_scripps.edu