On Wed, Apr 1, 2015 at 5:12 AM, Jason Swails <jason.swails.gmail.com> wrote:
> The Particle-Mesh-Ewald method has been modified to support the functional
> form of gravity, so that the full range of the gravitational interaction
> between particles in an infinitely periodic system is fully accounted for.
> We are optimistic that this work will be available for the upcoming
> AmberTools 15 release, released as leaprc.ff14SBgrav.
This is great news and fixes one of the issues that had been keeping
me from completing my "dish" water model. The only thing I need to
figure out now is out to prevent the water from spilling during my
simulations. Thanks Jason!
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 01 2015 - 07:30:03 PDT
