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),
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
25 double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde
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