inputformat 'Towhee' ensemble 'nvt' temperature 300.0d0 nmolty 2 nmolectyp 1 999 numboxes 1 stepstyle 'cycles' nstep 100 printfreq 10 blocksize 20 moviefreq 10 backupfreq 1000 runoutput 'full' pdb_output_freq 10 pressurefreq 1 trmaxdispfreq 5 volmaxdispfreq 10 potentialstyle 'internal' ffnumber 1 ff_filename /towheebase/ForceFields/towhee_ff_HardSphere classical_potential 'Hard Sphere' classical_mixrule 'Arithmetic' radial_pressure_delta 1.0d-2 electrostatic_form 'none' linit .true. initboxtype 'dimensions' initstyle 'full cbmc' 'full cbmc' initlattice 'simple cubic' 'simple cubic' initmol 1 999 inix iniy iniz 10 10 10 hmatrix 11.0 0.0d0 0.0d0 0.0d0 11.0 0.0d0 0.0d0 0.0d0 11.0 pmtracm 1.0d0 pmtcmt 0.001d0 1.0d0 rmtrac 0.5d0 tatrac 0.5d0 input_style 'basic connectivity map' nunit 1 nmaxcbmc 1 lpdbnames F forcefield 'HardSphere' charge_assignment 'manual' unit ntype qqatom 1 'hs1.0' 0.0d0 vibration 0 improper torsion 0 input_style 'basic connectivity map' nunit 1 nmaxcbmc 1 lpdbnames F forcefield 'HardSphere' charge_assignment 'manual' unit ntype qqatom 1 'hs1.0' 0.0d0 vibration 0 improper torsion 0