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 -- Psssst! Schon vom neuen GMX MultiMessenger gehört? Der kanns mit allen: http://www.gmx.net/de/go/multimessenger
gmx_ethane_0365_32768.e74269
Description: Binary data
ethane.itp
Description: Binary data
ethane_32768.top
Description: Binary data
md.mdp
Description: application/mdp
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