On Thu, Sep 19, 2002, Kumpf, Bob wrote:
>
> I have visited the amber.ucsf web page and I found some links to parameter
> derivation efforts. However, I was wondering if you knew anything about the
> status of parameter derivation efforts for new/additional atom types for the
> AMBER force field. If so, which elements are under development? One
> element that shows up occasionally in protein modeling is Selenium (as part
> of the Selenomethionine analog of methionine). Do you, or anyone you know
> of, have any plans to tackle this element in the context of this residue?
Please send Amber related questions to the mailing list, not to me personally:
<amber_at_heimdal.ucsf.edu>: that way many people can have a chance to see your
question. Maybe one of them will be familiar with work on selenium; I am
not.
Most parameter development work for new functional groups, etc. is now
concentrated in the "antechamber" program and its associated data files.
There is also a (beginning) link to contributed force field parameters on
the Amber web site; we are hoping to encourage people to contribute things
there.
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Fri Sep 20 2002 - 06:53:18 PDT
