[gmx-users] the box lengths

#ZHAO LINA# ZHAO0139 at e.ntu.edu.sg
Mon Jun 14 15:29:50 CEST 2010


First time I meet this problem,
ERROR: One of the box lengths is smaller than twice the cut-off length. Increase the box size or decrease rlist.
I just followed the advice increase the box size, I tried twice in the editconf about the box size, actually this box is really large enough for the testing consideration, but still has the same problem.

integrator      = steep
emtol           = 1.0
nsteps          = 500
nstenergy       = 1
energygrps      = System

ns_type         = simple
coulombtype     = cut-off
rcoulomb        = 1.0
rvdw            = 1.0
constraints     = none
pbc             = xyz

Thanks for any advice,

Best regards,


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