[gmx-users] the box lengths
#ZHAO LINA#
ZHAO0139 at e.ntu.edu.sg
Mon Jun 14 15:29:50 CEST 2010
Hi,
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,
lina
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