> may I ask if X-ray diffraction
> data for the complexed chloride ion could help. I have such data at 2A
> resolution quality.
It seems like it could be interesting, though to compare with measurements
of a trajectory you would ideally need to replicate the crystalline condition,
which is not how Amber is normally used. I am not the best qualified to
comment on the extent of the usefulness.
Bill
-----------------------------------------------------------------------
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 Wed Oct 01 2008 - 05:11:23 PDT
