[gmx-users]

[Lars Schaefer]

Hi Carlos,

you can also use opls-aa:

J Comput Chem. 2002 Nov 30;23(15):1416-29.

Best,
Lars


Tsjerk Wassenaar wrote:
> Hi Carlos,
> 
> It is well possible. You can use the GROMOS force fields > 43a5. I'm
> not sure whether the sugar building blocks are already in there,
> otherwise you can try to add them. The parameters themselves have been
> published by the Gromos team (search for Roberto Lins).
> 
> Cheers,
> 
> Tsjerk
> 
> On 1/18/07, Carlos Javier Nuñez Aguero <carlosjn at ce.fis.unam.mx> wrote:
> 
>> Hi,
>>
>> I have two simple questions,
>>
>> o is possible to make MDs of poly-saccharides with the Gromacs software?
>> o If yes,
>>    what force field have the appropriate parameters? only one FF?
>>
>> Thanks,
>> Carlos Javier
>>
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> 
>