c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################ c ## ## c ## kdipol.i -- forcefield parameters for bond dipoles ## c ## ## c ############################################################ c c c maxnd maximum number of bond dipole parameter entries c maxnd5 maximum number of 5-membered ring dipole entries c maxnd4 maximum number of 4-membered ring dipole entries c maxnd3 maximum number of 3-membered ring dipole entries c c dpl dipole moment parameters for bond dipoles c dpl5 dipole moment parameters for 5-ring dipoles c dpl4 dipole moment parameters for 4-ring dipoles c dpl3 dipole moment parameters for 3-ring dipoles c pos dipole position parameters for bond dipoles c pos5 dipole position parameters for 5-ring dipoles c pos4 dipole position parameters for 4-ring dipoles c pos3 dipole position parameters for 3-ring dipoles c kd string of atom classes for bond dipoles c kd5 string of atom classes for 5-ring dipoles c kd4 string of atom classes for 4-ring dipoles c kd3 string of atom classes for 3-ring dipoles c c integer maxnd,maxnd5 integer maxnd4,maxnd3 parameter (maxnd=1000) parameter (maxnd5=500) parameter (maxnd4=500) parameter (maxnd3=500) real*8 dpl,dpl5,dpl4,dpl3 real*8 pos,pos5,pos4,pos3 character*8 kd,kd5,kd4,kd3 common /kdipol/ dpl(maxnd),dpl5(maxnd5),dpl4(maxnd4),dpl3(maxnd3), & pos(maxnd),pos5(maxnd5),pos4(maxnd4),pos3(maxnd3), & kd(maxnd),kd5(maxnd5),kd4(maxnd4),kd3(maxnd3)