AMBER Archive (2008)

Subject: Re: AMBER: AMBER forfield choose

From: Wang,Ying (wangying_at_ufl.edu)
Date: Thu Nov 20 2008 - 09:17:45 CST

Yes.
But could you tell me how to load both of them in NAMD? Thanks a
lot!

On Thu Nov 20 10:09:28 EST 2008, "mori_at_cerm.unifi.it"
<mori_at_cerm.unifi.it> wrote:

> 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
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>>> 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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>
> -- **-**-**-**-**-**-**-**-**-**-**-**-**
> Mattia Mori, PhD Student
> CERM - Centro di Risonanze Magnetiche
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--
Wang,Ying

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