[gmx-users] Long range Lennard Jones

[rajat desikan]

Hi,
What is LJ PME? I googled it and got this publication?
http://pubs.acs.org/doi/abs/10.1021/ct400146w

So, LJ will not be cut off at some r, but you will have a real+fourier part
similar to electrostatics. Is that LJ PME? What are the advantages?


On Wed, Aug 28, 2013 at 12:36 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Lennard-Jones PME is planned for 5.0
>
> Mark
> On Aug 28, 2013 8:36 AM, "Gianluca Interlandi" <gianluca at u.washington.edu>
> wrote:
>
> > Hi!
> >
> > Just wondering whether gromacs has (or plans to implement) a correction
> > for the loss of long range LJ interactons? Something similar to
> > LJcorrection in NAMD or IPS in CHARMM.
> >
> > Thanks!
> >
> >      Gianluca
> >
> > ------------------------------**-----------------------
> > Gianluca Interlandi, PhD gianluca at u.washington.edu
> >                     +1 (206) 685 4435
> >                     http://artemide.bioeng.**washington.edu/<
> http://artemide.bioeng.washington.edu/>
> >
> > Research Scientist at the Department of Bioengineering
> > at the University of Washington, Seattle WA U.S.A.
> >                     http://healthynaturalbaby.org
> > ------------------------------**-----------------------
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-- 
Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore