cellBasisVector1 108.8612 0.0 0.0 cellBasisVector2 0.0 108.8612 0.0 cellBasisVector3 0.0 0.0 77.758 cellOrigin 0.0 0.0 0.0 coordinates apoa1.pdb temperature 300 seed 74269 switching on switchdist 10 cutoff 12 pairlistdist 13.5 margin 0 stepspercycle 20 PME on PMEGridSizeX 108 PMEGridSizeY 108 PMEGridSizeZ 80 structure apoa1.psf parameters par_all22_prot_lipid.xplor parameters par_all22_popc.xplor exclude scaled1-4 1-4scaling 1.0 timestep 1.0 fullElectFrequency 4 numsteps 500 outputtiming 20 outputname /usr/tmp/apoa1-out