AMBER Archive (2006)

Subject: Re: AMBER: Which one is the best force field for DNA?

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 14 2006 - 12:53:50 CDT


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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu