[gmx-users] LJ cut-off distance

Justin A. Lemkul jalemkul at vt.edu
Fri Oct 22 16:51:29 CEST 2010

C. Batistakis wrote:
> Dear all
> I have a system of polymer chains between 2 substrates. The substrates 
> are FCC lattices consisting of Lennard-Jones particles.  
> I would like to know if it’s possible to handle individually the cut-off 
> distances of the LJ interactions in the system
> For example, I would to use one cut-off distance for the LJ interactions 
> between the particles of the substrate but a different cut-off distance 
> for the LJ interaction between the substrate and the polymers. Is this 
> possible?

No.  There can be only one value of rvdw.  If you want custom potentials, you 
can use tabulated potentials, but I don't think this directly addresses what you 
want to do.


> Many thanks in advance
> Chrysostomos


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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