[gmx-users] nstlist with vdw only

[Nicolas Schmidt]

Hello again,

just a quick question:

my simulation runs with vdwtype = cut-off  and no charges, so in my understanding I can set rcoulomb to whatever I want, since there is nothing that's got to be calculated.

Within this configuration (rlilst = r_vdw, nstlist = 1) up to 50% of the computation-time is used for ns-pairs, only 30-35% for LJ. Am I doing something wrong here? How can this be done more efficient.

Thanks to everyone

posted the .top and .mdp file along with my output-file


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