On Fri, Apr 14, 2006, Thomas Cheatham wrote:
>
> , I would likely use one of the modified phi/psi protein parameter
> sets by the Simmerling group (see the JACS 2002 article on TrpCage
> folding); if you have amber9 (or are getting AMBER9), this is the
> frcmod.ff99SB.
Just a quick note: The force field used in Simmerling, Strockbine, Roitberg,
JACS 124:11258, 2002 [called frcmod.mod_phipsi.1 in Amber 8] is not the
same as what is in frcmod.ff99SB in Amber 9. See p. 20 of the Amber 9
Users' Manual for more information about ff99SB.
....dac
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Received on Sun Apr 16 2006 - 06:07:06 PDT
