Re: [AMBER] is AMBER FF good enough for long time scaled MD?

From: francesco oteri <francesco.oteri.gmail.com>
Date: Wed, 21 Nov 2012 13:03:31 +0100

What do you mean with "SF degradation"?
Is there any paper describing such a phenomenon?

Francesco


2012/11/21 Albert <mailmd2011.gmail.com>

> hello:
>
> I've got a question for the Amber99-ILDN and recent Amber12SB FF. Are
> they good enough for long time scaled MD simulation such as tens of
> microsecond ? As far as I know the CHARMM27 is not qualified for such
> kind of purpose because of SF degradation during the micro second long
> time simulation, however this August released Charmm36 for protein has
> claimed resolved this issue.
> So I am just wondering how about Amber99-ILDN and this very new
> Amber12SB FF?
>
> thank you very much.
>
> regards
> Albert
>
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>



-- 
Cordiali saluti, Dr.Oteri Francesco
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Received on Wed Nov 21 2012 - 04:30:02 PST
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