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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