perhaps- but it is always good to think carefully about this
before building your system. for example, one of our systems
has the NPRO in the active site and it is intimately involved
in substrate binding. terminal residues are not always just flexible tails.
carlos
On Mon, Jul 28, 2008 at 8:28 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> The terminal fragments of a protein are
> exposed to the solvent; so using those form the Cornell et al FF should be
> ok.
>
> regards, Francois
>
-----------------------------------------------------------------------
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 Jul 30 2008 - 06:07:21 PDT
