ff99 itself won't be changing. there are modified forms of ff99 that do
have improved secondary structure balance- the one from my lab is called
ff99SB in amber9. A manuscript is in review and I'd be happy to give you
a preprint if you are interested.
ff03 also has improved properties but the charge model is not
compatible with all of the parameters developed for ff94/ff99, such
as the nucleic acids parameters or many small molecule parameters
that people have developed over the years. ff99SB will work fine with these.
carlos
harianto wrote:
>Hi, Amber users,
>
>Has the problem of the alpha helix over-preference solved for
>the ff99 of amber 8 version?
>
>I did "diff" with parm99 of amber 7.
>The only difference was atom type "N3".
>What is this change?
>
>
>-----------------------------------------------------------------------
>The AMBER Mail Reflector
>To post, send mail to amber.scripps.edu
>To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri May 26 2006 - 21:05:23 PDT
