[gmx-users] PME parameters problems!!!

[nanyu101]

Dear gmx-users,
  I have run energy minimization for my lipid bilayer with PME for coulomb long-term interation.But I failed run mdrun by ending with "Segmentation fault" My mdp file was listed as follows. Would you please give me some advices?By the way,I've never succeed in running PME parameters.Thanks for any comments.

title               =  test`
cpp                 =  /lib/cpp
define              =  -DFLEX_SPC
constraints         =  none
integrator          =  cg
emstep              =  0.001
emtol               =  10
nsteps              =  200000
nstcgsteep          =  100
nstcomm             =  1
nstxout             =  50
nstvout             =  1000
nstfout             =  0
nstlog              =  10
nstenergy           =  10
nstlist             =  10
pbc                 =  xyz
ns_type             =  grid
coulombtype         =  PME
rlist               =  1.2
rcoulomb            =  1.2
rvdw                =  1.2
optimize_fft        =  yes
fourierspacing      =  0.12
fourier_nx          =  2
fourier_ny          =  2
fourier_nz          =  2
pme_order           =  4
Tcoupl              =  no
Pcoupl              =  no
gen_vel             =  no



Best wishes,
Xianhui Wu









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