/******************************************************** % % Written by: % -- % John L. Weatherwax 2006-05-29 % % email: wax@alum.mit.edu % % Please send comments and especially bug reports to the % above email address. % %----- */ #include "sim_consts.h" void fillSimConsts(void){ sim_consts SC; /* the global cells dimensions (in Angstroms) */ SC.Gx = 80; SC.Gy = 80; /* the non bonded radius (in Angstroms) */ SC.dNonBonded = 12; /* the charge spreading and force interpolation distance (in Angstroms) */ SC.dSpreading = 5; /* the interaction radius (in Angstroms) */ SC.R = SC.dNonBonded; simConsts = SC; }