e0f9c5d512feff869ea57ee7ef7b2e66718e7347
[unres.git] / 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
4       common/torsion/ v0(maxtor,maxtor),
5      &    v1(maxterm,maxtor,maxtor),
6      &    v2(maxterm,maxtor,maxtor),
7      &    vlor1(maxlor,maxtor,maxtor),
8      &    vlor2(maxlor,maxtor,maxtor),
9      &    vlor3(maxlor,maxtor,maxtor),
10      &    nterm(maxtor,maxtor),
11      &    nlor(maxtor,maxtor), 
12      &    nterm_old,
13      &    itortyp(ntyp1),
14      &    ntortyp
15 C 6/23/01 - constants for double torsionals
16       double precision v1c,v1s,v2c,v2s
17       integer ntermd_1,ntermd_2
18       common /torsiond/ v1c(2,maxtermd_1,maxtor,maxtor,maxtor),
19      &    v1s(2,maxtermd_1,maxtor,maxtor,maxtor),
20      &    v2c(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
21      &    v2s(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
22      &    ntermd_1(maxtor,maxtor,maxtor),ntermd_2(maxtor,maxtor,maxtor)
23 C 9/18/99 - added Fourier coeffficients of the expansion of local energy 
24 C           surface
25       double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
26       integer nloctyp
27       common/fourier/ b1(2,maxtor),b2(2,maxtor),cc(2,2,maxtor),
28      &    dd(2,2,maxtor),ee(2,2,maxtor),ctilde(2,2,maxtor),
29      &    dtilde(2,2,maxtor),b1tilde(2,maxtor),nloctyp