[gmx-users] LJ cut-off distance

[Justin A. Lemkul]

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.

-Justin

> Many thanks in advance
> 
> Chrysostomos
> 
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================