[gmx-users] g_tune_pme and verlet

Åke Sandgren ake.sandgren at hpc2n.umu.se
Mon Sep 29 19:10:42 CEST 2014


I'm trying to run g_tune_pme on a case with verlet lists, but i get 
complaints from mdrun that
"With Verlet lists rcoulomb and rvdw should be identical"
even with -scalevdw.

Using 4.6.5
g_tune_pme -r 3 -min 0.1 -rmin 0.7 -rmax 1.1 -scalevdw -ntpr 10 -s case.tpr

Is this a known problem or am i doing something wrong?

Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se

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