Hi:
Yes, OWFEG has been implemented. And no, there is not a section of the
manual describing its use.
Why, you ask? I have been delinquent in getting the documentation ready.
Rest assured that it WILL be prepared and included as an update to
Amber 6. It has been on my overstuffed plate for a while now...Hang on...!
And my apologies...
dap
CRAIG ANTHONY MARHEF wrote:
>
> The AMBER 6.0 manual for sander_classic says that the OWFEG method has been
> implemented yet there is no section in the manual describing it's use.
> Is OWFEG not implemented as of yet or is this an oversight in the
> documentation?
>
> Is NSNB still an option in the 6.0 version of sander?
>
> I assume that sander 6.0 does not include separate solute solvent temperature
> coupling as in sander_classic. Is this true? If so then tautp is for the
> system and not only the "SOLUTE" correct?
>
> Thanks for clearing up these issues for the community of users.
--
David A. Pearlman email: dap_at_vpharm.com
Vertex Pharmaceuticals Inc.
130 Waverly St. "There are only 25 great people in the world &
Cambridge, MA 02139-4242 5 of them are hamburgers..." -- Cptn Beefheart
Received on Fri Feb 11 2000 - 08:42:42 PST
