On 2013-08-28 09:31, rajat desikan wrote:
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?
http://pubs.acs.org/doi/abs/10.1021/ct400140n
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
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