source/unres/src_MD-M/COMMON.TORSION

   1 C Torsional constants of the rotation about virtual-bond dihedral angles
   2       double precision v1,v2,vlor1,vlor2,vlor3,v0
   3       integer itortyp,ntortyp,nterm,nlor,nterm_old,nterm_kcc_Tb,
   4      &   nterm_kcc,itortyp_kcc
   5       common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor,2),
   6      &    v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
   7      &    v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
   8      &    vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor),
   9      &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
  10      &    v1_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
  11      &    v2_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
  12      &    v1_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
  13      &    v2_chyb(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
  14      &    itortyp(-ntyp1:ntyp1),ntortyp,
  15      &    itortyp_kcc(-ntyp1:ntyp1),
  16      &    nterm(-maxtor:maxtor,-maxtor:maxtor,2),
  17      &    nlor(-maxtor:maxtor,-maxtor:maxtor,2),
  18      &    nterm_kcc_Tb(-maxtor:maxtor,-maxtor:maxtor),
  19      &    nterm_kcc(-maxtor:maxtor,-maxtor:maxtor),
  20      &    nterm_old
  21 C 6/23/01 - constants for double torsionals
  22       double precision v1c,v1s,v2c,v2s
  23       integer ntermd_1,ntermd_2
  24       common /torsiond/
  25      &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
  26      &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
  27      &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
  28      &    -maxtor:maxtor,2),
  29      &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
  30      &    -maxtor:maxtor,2),
  31      &    ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
  32      &    ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
  33 C 9/18/99 - added Fourier coeffficients of the expansion of local energy
  34 C           surface
  35       double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde,
  36      &bnew1,bnew2,eenew,gtb1,gtb2,eeold,gtee
  37       integer nloctyp
  38       common/fourier/ b1(2,0:maxres),b2(2,0:maxres),b(13,0:maxtor),
  39      &    bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor),
  40      &    cc(2,2,-maxtor:maxtor),
  41      &    dd(2,2,-maxtor:maxtor),eeold(2,2,-maxtor:maxtor),
  42      &    eenew(2,-maxtor:maxtor),
  43      &    ee(2,2,maxres),
  44      &    ctilde(2,2,-maxtor:maxtor),
  45      &    dtilde(2,2,-maxtor:maxtor),b1tilde(2,0:maxres),
  46      &    b2tilde(2,maxres),
  47      &    gtb1(2,maxres),gtb2(2,maxres),gtEE(2,2,maxres),
  48      &    nloctyp
  49