On Mon, Nov 03, 2008, Carlos Simmerling wrote:
>
> also I STRONGLY recommend against igb=1. we've published several
> papers (as have others) showing that this is not a good option. I
> recommend igb=5 and mbondi2 radii.
Just a (somewhat off-topic) note: the comments above are based on studies on
proteins. For nucleic acids, we have less extensive study, but igb=1 is
likely to still be a viable option there.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Fri Dec 05 2008 - 10:30:49 PST