c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################## c ## ## c ## warp.i -- parameters for potential surface smoothing ## c ## ## c ############################################################## c c c m2 second moment of the GDA gaussian for each atom c deform value of the smoothing deformation parameter c difft diffusion coefficient for torsional potential c diffv diffusion coefficient for van der Waals potential c diffc diffusion coefficient for charge-charge potential c use_smooth flag to use a potential energy smoothing method c use_dem flag to use diffusion equation method potential c use_gda flag to use gaussian density annealing potential c use_tophat flag to use analytical tophat smoothed potential c use_stophat flag to use shifted tophat smoothed potential c c real*8 m2,deform real*8 difft,diffv,diffc logical use_smooth,use_dem,use_gda logical use_tophat,use_stophat common /warp/ m2(maxatm),deform,difft,diffv,diffc,use_smooth, & use_dem,use_gda,use_tophat,use_stophat