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.abra...@gmail.com>wrote: > Lennard-Jones PME is planned for 5.0 > > Mark > On Aug 28, 2013 8:36 AM, "Gianluca Interlandi" <gianl...@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 gianl...@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 > > ------------------------------**----------------------- > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/**mailman/listinfo/gmx-users< > http://lists.gromacs.org/mailman/listinfo/gmx-users> > > * Please search the archive at http://www.gromacs.org/** > > Support/Mailing_Lists/Search< > http://www.gromacs.org/Support/Mailing_Lists/Search>before posting! > > * Please don't post (un)subscribe requests to the list. Use the www > > interface or send it to gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists< > http://www.gromacs.org/Support/Mailing_Lists> > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Rajat Desikan (Ph.D Scholar) Prof. K. Ganapathy Ayappa's Lab (no 13), Dept. of Chemical Engineering, Indian Institute of Science, Bangalore -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists