551505819e0977cc55e58ca2613b0e823a01a80f
[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,-maxtor:maxtor,2),
5      &    v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
6      &    v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
7      &    vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor),
8      &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
9      &    itortyp(-ntyp1:ntyp1),ntortyp,
10      &    nterm(-maxtor:maxtor,-maxtor:maxtor,2),
11      &    nlor(-maxtor:maxtor,-maxtor:maxtor,2) 
12      &    ,nterm_old
13 C 6/23/01 - constants for double torsionals
14       double precision v1c,v1s,v2c,v2s
15       integer ntermd_1,ntermd_2
16       common /torsiond/ 
17      &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
18      &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
19      &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
20      &    -maxtor:maxtor,2),
21      &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
22      &    -maxtor:maxtor,2),
23      &    ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
24      &    ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
25 C 9/18/99 - added Fourier coeffficients of the expansion of local energy 
26 C           surface
27       double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde,
28      &bnew1,bnew2,eenew,gtb1,gtb2,eeold,gtee
29       integer nloctyp
30       common/fourier/ b1(2,maxres),b2(2,maxres),b(13,0:maxtor),
31      &    bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor),
32      &    cc(2,2,-maxtor:maxtor),
33      &    dd(2,2,-maxtor:maxtor),eeold(2,2,-maxtor:maxtor),
34      &    eenew(2,-maxtor:maxtor),
35      &    ee(2,2,maxres),
36      &    ctilde(2,2,-maxtor:maxtor),
37      &    dtilde(2,2,-maxtor:maxtor),b1tilde(2,maxres),
38      &    b2tilde(2,maxres),
39      &    gtb1(2,maxres),gtb2(2,maxres),gtEE(2,2,maxres),
40      &    nloctyp
41