[gmx-users] Re: Change of force field: ffgmx > ff53a5

[Xavier Periole]

On Wed, 17 Sep 2008 14:27:57 +0200
  Thomas Schlesier <schlesi at uni-mainz.de> wrote:
> Ok, then i would take to following parameters:
> 
> _x is vdw or coulomb
> 
> rlist   1.7 (must be greater then r_x)
> r_x    1.4
> r_x_switch    0.8
> x_type    shift
> 
> right?!?
No,

rlist 0.8
nstlist 5
rcoulomb 1.4
rvdw 1.4
vdwtype cutoff
coulombtype Reaction-field
> Thomas
> 
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-----------------------------------------------------
XAvier Periole - PhD

Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
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