[gmx-users] Long range Lennard Jones

[Dallas Warren]

DispCorr might be what you are looking for, correction for LJ beyond the cut-off.

Catch ya,

Dr. Dallas Warren
Drug Discovery Biology
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Gianluca Interlandi
> Sent: Wednesday, 28 August 2013 4:36 PM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Long range Lennard Jones
> 
> 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/
> 
> Research Scientist at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
>                      http://healthynaturalbaby.org
> -----------------------------------------------------
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