READ_HOMOL_FRAG wham
[unres.git] / source / wham / src-M / include_unres / 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(-ntyp:ntyp),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       integer nloctyp
29       common/fourier/ b1(2,-maxtor:maxtor),b2(2,-maxtor:maxtor)
30      &    ,cc(2,2,-maxtor:maxtor),
31      &    dd(2,2,-maxtor:maxtor),ee(2,2,-maxtor:maxtor),
32      &    ctilde(2,2,-maxtor:maxtor),
33      &    dtilde(2,2,-maxtor:maxtor),b1tilde(2,-maxtor:maxtor),nloctyp
34       double precision b
35       common /fourier1/ b(13,0:maxtor)