Many exicting developments in molecular simulation revolve around the use of
polarizable (aka non-fixed-charge) force fields. Prominent examples inlcude
the "ff12pol" efforts from the Amber force field consortium, the Amoeba force
field from Ponder&Ren, and the Drude particle ideas from (among others) the
CHARMM community.
The Amber codes are not currently set up to be very flexible or efficient in
using such force field descriptions. I'd like to promote discussion and some
real work in allowing greater flexibility in what we do (so that Amber folks
can contribute more easily to ff development), and to speed up our codes in
this area.
I have some funds available to support a post-doc or programmer. I also think
that coordination of efforts in various labs would also be helpful. If you
have ideas or comments, please post to the amber-developers list. Candidates
for a job should contact me directly.
...thx....dac
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Received on Fri Aug 16 2013 - 06:00:05 PDT
