Re: [AMBER] gaff/parm

From: MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
Date: Thu, 14 Jan 2021 14:50:01 +0100

Ah, perfect!

Thanks you so much


Regards
David A Case <david.case.rutgers.edu> escribió:

> On Thu, Jan 14, 2021, MYRIAN TORRES RICO wrote:
>>
>> Me again, with a different short question...What are the different
>> between the AMBER force field parm and gaff? is the parm parameters in
>> a waterbox TIP3P?
>
> GAFF (and GAFF2) are force fields designed to work on fairly arbitrary
> organic molecules. Other "Amber" force fields are optimized for proteins,
> nucleic acids, carbohydrates, water, and so on. GAFF can be used when
> there are no specific force field parameters for your molecule or residue.
>
> ....dac
>
>
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Received on Thu Jan 14 2021 - 06:00:03 PST
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