[gmx-users] Verlet cut off scheme with tabulated potentials

Steven Neumann s.neumann08 at gmail.com
Tue Jul 30 09:48:51 CEST 2013

Dear Gmx Users,

I want to run my simulations with tabulated non bonded and bonded
parameters on Gromacs 4.6.3. When I ask for 16 cpus it says:

that I am not able to use 16 or 8 with cut off scheme Group. So I set up

cutoff-scheme = Verlet
verlet-buffer-drift = 0.005

ERROR 1 [file grompp.mdp]:
  With Verlet lists only cut-off LJ interactions are supported

ERROR 2 [file grompp.mdp]:
  With Verlet lists only cut-off, reaction-field, PME and Ewald
  electrostatics are supported

What are settings to use more than 1 cpu with vdw_type = user and
coulomtype = User ?

Please help,


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