temperature 100 #To create initial random velocities firststep 0 #Defines the first step in case there is a restart etc. numsteps 50000000 #Number of integration-steps cellsize 20 outputfreq 200 #Frequence of output seed 1231 #random posfile 7spheres.pos.xyz #File containing the initial positions in xyz-format psffile 7spheres.psf #File containing among other molecular parameteres the mass parfile 7spheres.par #File containing (non)bond-parameteres used for molecules finxyzposfile 7spheres.out.pos.xyz #Outputfile containing the final positions in xyz-format finxyzvelfile 7spheres.out.vel.xyz #Outputfile containing the final velosities in xyz-format dcdfile 7spheres.out.dcd #Outputfile containing the trajectories of the particles #in dcd-format used by VMD xyzposfile 7spheres.out.pos.xyz #Outputfile containing the positions in xyz-format boundaryConditions Normal #Normal boundaries, i.e. no periodic boundaries, i.e. vacuum cellManager Cubic #Shape of the cell for the cell-algorithm Integrator { level 0 Leapfrog { #leapfrog-integrator timestep .1 #Length of one timestep force MagneticDipole #The dipole-dipole and the dipole-mirror interactions force -algorithm NonbondedSimpleFull #Calculates all pairs of dipoles -chi .61 #Effective susceptibility of the spheres -r .5 #Radius of the spheres -omega -0.0024898 #Angular frequency of the spheres -phi 0.0 #Initial angel of the field -H 3.130916 3.130916 0.0 #Magnetic flux-density in x, y and z-direction -d 1.94 #Separation between boundaries (glass-plates) #0.0 turns mirroreffects off. force Friction #This force contains the friction and the noise -k -10.0 #Frictionforce = k*velocity*48.88. The velocities are multiplied #with 48.88 due to the integrationmethod -rnd 0.01 0.01 0.01 #The amplitude of the noise. #Noiseforce=noiseamplitude*random number #between -1 and 1 in each direction. force MagneticDipoleMirror #Calculates the centering force between a dipole #and its own mirror-images. -chi .61 #as for MagneticDipole -r .5 #as for MagneticDipole -H 3.130916 3.130916 0.0 #as for MagneticDipole -d 1.94 #as for MagneticDipole. Cannot be swiched off. } }