#Ioncrystal Generator, (C) 2002, matthey@ii.uib.no, Aug 21 2002.
#Autogenerated ProtoMol config file
#ioncrystalGenerator 1029ca1028a -3d -temp 1e-3 -d 1e5 -w 2.5e-9 -s -p 0.2 1029 CA 40.08 1.0 1028 A 80.16 2.0 
numsteps 10000
firststep 0

boundaryConditions Normal
cellManager Cubic
cellsize 400000
exclude none

temperature 0.001
posfile 1029ca1028a.pos.xyz
#velfile 1029ca1028a.vel.xyz 

psffile 1029ca1028a.psf
parfile 1029ca1028a.par

outputfreq 1
FINXYZPOSFILE     1029ca1028a.out.fin.pos.xyz
#FINXYZVELFILE     1029ca1028a.out.fin.vel.xyz
PAULOUTPUTFREQ 1
PAULHISTSIZE 0
PAULFILE          1029ca1028a.out.paul
#XYZPOSFILE 1029ca1028a.out.trajectory.pos.xyz
#XYZPOSOUTPUTFREQ 1000
#ALLENERGIESFILE   1029ca1028a.out.energies

usecharmm28parfile no
seed 1234

Integrator {
  level 0 NoseNVTLeapfrog {
      timestep 1e+08
      temperature 1e-5
      thermal 1e-16
#    force Coulomb -algorithm MultiGrid -interpolation Hermite -kernel C2 
#          -s 400000 -levels 2 -h 100000 100000 100000  -order 4 -ratio 2
    force Coulomb -algorithm NonbondedSimpleFull
    force  PaulTrap -omegaR 2.5e-09 -omegaZ 2.5e-09
  }
}