c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ################################################################# c ## ## c ## vdw.i -- van der Waals parameters for current structure ## c ## ## c ################################################################# c c c radmin minimum energy distance for each atom class pair c epsilon well depth parameter for each atom class pair c radmin4 minimum energy distance for 1-4 interaction pairs c epsilon4 well depth parameter for 1-4 interaction pairs c radhbnd minimum energy distance for hydrogen bonding pairs c epshbnd well depth parameter for hydrogen bonding pairs c kred value of reduction factor parameter for each atom c ired attached atom from which reduction factor is applied c nvdw total number van der Waals active sites in the system c ivdw number of the atom for each van der Waals active site c jvdw type or class index into vdw parameters for each atom c nvt number of distinct vdw types/classes in the system c ivt type/class index for each distinct vdw type or class c jvt frequency of each vdw type or class in the system c c integer ired,nvdw integer ivdw,jvdw integer nvt,ivt,jvt real*8 radmin,epsilon real*8 radmin4,epsilon4 real*8 radhbnd,epshbnd,kred common /vdw/ radmin(maxclass,maxclass), & epsilon(maxclass,maxclass), & radmin4(maxclass,maxclass), & epsilon4(maxclass,maxclass), & radhbnd(maxclass,maxclass), & epshbnd(maxclass,maxclass), & kred(maxatm),ired(maxatm), & nvdw,ivdw(maxatm),jvdw(maxatm), & nvt,ivt(maxatm),jvt(maxatm)