AMBER Archive (2008)

Subject: Re: AMBER: AMBER forfield choose

From: mori_at_cerm.unifi.it
Date: Thu Nov 20 2008 - 09:09:28 CST

Just load both of them sequentially in tleap.

Wang,Ying ha scritto:
> Thanks a lot!
> But how can I combine these two forcefield together?
>
> Thanks!
>
>
>
> On Thu Nov 20 09:45:20 EST 2008, Barbault Florent
> <florent.barbault_at_univ-paris-diderot.fr> wrote:
>
>> 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 ??crit??:
>>> 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
>>
>> NEW ADDRESS !!!
>>
>> Universite Paris Diderot
>> Laboratoire ITODYS
>> 15 rue Jean de Ba??f, b??timent 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
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>
>
>
> --
> Wang,Ying
>
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-- 

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Mattia Mori, PhD Student
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