1 C Torsional constants of the rotation about virtual-bond dihedral angles
2 double precision v1,v2,vlor1,vlor2,vlor3,v0,v1_kcc,v2_kcc,
3 & v1_chyb,v2_chyb,v1bend_chyb
4 integer itortyp,ntortyp,nterm,nlor,nterm_old,nterm_kcc_Tb,
5 & nterm_kcc,itortyp_kcc,nbend_kcc_Tb
6 common/torsion/v0(-maxtor:maxtor,-maxtor:maxtor,2),
7 & v1(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
8 & v2(maxterm,-maxtor:maxtor,-maxtor:maxtor,2),
9 & vlor1(maxlor,-maxtor:maxtor,-maxtor:maxtor),
10 & vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
11 & v1_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
12 & v2_kcc(maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
13 & v1_chyb(maxtermkcc,maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
14 & v2_chyb(maxtermkcc,maxtermkcc,-maxtor:maxtor,-maxtor:maxtor),
15 & v1bend_chyb(maxtermkcc,-maxtor:maxtor),
16 & itortyp(-ntyp1:ntyp1),ntortyp,
17 & itortyp_kcc(-ntyp1:ntyp1),
18 & nterm(-maxtor:maxtor,-maxtor:maxtor,2),
19 & nlor(-maxtor:maxtor,-maxtor:maxtor,2),
20 & nterm_kcc_Tb(-maxtor:maxtor,-maxtor:maxtor),
21 & nterm_kcc(-maxtor:maxtor,-maxtor:maxtor),
22 & nbend_kcc_Tb(-maxtor:maxtor),
24 C 6/23/01 - constants for double torsionals
25 double precision v1c,v1s,v2c,v2s
26 integer ntermd_1,ntermd_2
28 &v1c(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
29 &v1s(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
30 &v2c(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
32 &v2s(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
34 & ntermd_1(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2),
35 & ntermd_2(-maxtor:maxtor,-maxtor:maxtor,-maxtor:maxtor,2)
36 C 9/18/99 - added Fourier coeffficients of the expansion of local energy
38 double precision b1,b2,cc,dd,ee,ctilde,dtilde,b2tilde,b1tilde,
39 &bnew1,bnew2,eenew,gtb1,gtb2,eeold,gtee
41 common/fourier/ b1(2,0:maxres),b2(2,0:maxres),b(13,0:maxtor),
42 & bnew1(3,2,-maxtor:maxtor),bnew2(3,2,-maxtor:maxtor),
43 & cc(2,2,-maxtor:maxtor),
44 & dd(2,2,-maxtor:maxtor),eeold(2,2,-maxtor:maxtor),
45 & eenew(2,-maxtor:maxtor),
47 & ctilde(2,2,-maxtor:maxtor),
48 & dtilde(2,2,-maxtor:maxtor),b1tilde(2,0:maxres),
50 & gtb1(2,maxres),gtb2(2,maxres),gtEE(2,2,maxres),