Dan,
Turn off imaging in the dish model, that will help with spills. The fast
translation causes sloshing.
Carlos
On Apr 1, 2015 10:10 AM, "Daniel Roe" <daniel.r.roe.gmail.com> wrote:
> 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)
>
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Received on Wed Apr 01 2015 - 08:00:02 PDT
