C dtorsion.inc C ============ C C Stores topology and dynamics related parameters and C pointers for torsion angle dynamics. C C Reset flags LOGICAL QRESET,QREDO C Group linked lists INTEGER HPFLAGS,HPPOINTR,HPLIST C C Old topology size variables INTEGER ONATOM,ONGP,ONTREE,OMXCHN,OMXLN C C New topology size variables INTEGER NGP,NTREE,MXCHN,MXLN C Automatic topology setup variables INTEGER MAXBND,MAXDIHE,MAXJNT INTEGER MAXTREE,MAXCHN,MAXLEN DOUBLE PRECISION KDIHMAX C C Topology heap pointers and variables INTEGER HPNJOINT,HPGRPSEQ,HPNIN,HPNOUT,HPSIZE,HPCHNLEN INTEGER HPNCHAINS,HPCOEFFI,HPCOEFFO,HPQTIP C C Dynamics heap pointers and variables INTEGER NDEGF INTEGER HPXCM,HPYCM,HPZCM,HPMM,HPYY INTEGER HPQ0,HPQ1,HPQ2,HPQ3,HPXB,HPYB,HPZB INTEGER HPQDOT,HPHHX,HPHHY,HPHHZ,HPSSX,HPSSY,HPSSZ INTEGER HPCRDIND,HPVELIND,HPFRICT,HPQQ,HPB1,HPB2 INTEGER HPDD,HPKK,HPLL,HPYYDOT,HPQ0O,HPQ1O,HPQ2O INTEGER HPQ3O,HPYYO,HPRKQ,HPRKQDOT,HPQDDOT,HPQDOTO INTEGER HPQO,HPQ C C Pointer common block COMMON /PDTORSN/ HPFLAGS,HPPOINTR,HPLIST,HPNJOINT,HPGRPSEQ, @ HPNIN,HPNOUT,HPSIZE,HPCHNLEN,HPNCHAINS, @ HPCOEFFI,HPCOEFFO,HPQTIP,HPXCM,HPYCM,HPZCM, @ HPMM,HPYY,HPQ0,HPQ1,HPQ2,HPQ3,HPXB,HPYB,HPZB, @ HPQDOT,HPHHX,HPHHY,HPHHZ,HPSSX,HPSSY,HPSSZ, @ HPCRDIND,HPVELIND,HPFRICT,HPQQ,HPB1,HPB2, @ HPDD,HPKK,HPLL,HPYYDOT,HPQ0O,HPQ1O,HPQ2O,HPQ3O, @ HPYYO,HPRKQ,HPRKQDOT,HPQDDOT,HPQDOTO,HPQO,HPQ C C Integer common block COMMON /IDTORSN/ ONATOM,ONGP,ONTREE,OMXCHN,OMXLN,NGP,NTREE, @ MAXBND,MAXDIHE,MXCHN,MXLN,MAXJNT,MAXTREE, @ MAXCHN,MAXLEN,NDEGF C C Double precision common block COMMON /DDTORSN/ KDIHMAX C C Logical common block COMMON /LDTORSN/ QRESET,QREDO C SAVE /PDTORSN/ SAVE /IDTORSN/ SAVE /DDTORSN/ SAVE /LDTORSN/