READ_HOMOL_FRAG wham
[unres.git] / source / wham / src-M / include_unres / COMMON.DERIV
1       double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gvdwpp,
2      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gvdwx,gradcorr,gradxorr,
3      & gliptranc,gliptranx,
4      & gradcorr5,gradcorr6,gel_loc,gcorr3_turn,gcorr4_turn,gcorr6_turn,
5      & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc,
6      & g_corr5_loc,g_corr6_loc,gradb,gradbx,gsccorc,gsccorx,gsccor_loc,
7      & gscloc,gsclocx,gshieldx,gradafm,
8      & gshieldc, gshieldc_loc, gshieldx_ec, gshieldc_ec,
9      & gshieldc_loc_ec, gshieldx_t3,gshieldc_t3,gshieldc_loc_t3,
10      & gshieldx_t4, gshieldc_t4,gshieldc_loc_t4,gshieldx_ll,
11      & gshieldc_ll, gshieldc_loc_ll,gsaxsC,gsaxsX
12
13       integer nfl,icg
14       logical calc_grad
15       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
16      & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres),
17      & gvdwc(3,maxres),gelc(3,maxres),gvdwpp(3,maxres),
18      & gradx_scp(3,maxres),
19      & gliptranc(3,-1:maxres),
20      & gliptranx(3,-1:maxres),
21      & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
22      & gshieldc_loc(3,-1:maxres),
23      & gshieldx_ec(3,-1:maxres), gshieldc_ec(3,-1:maxres),
24      & gshieldc_loc_ec(3,-1:maxres),
25      & gshieldx_t3(3,-1:maxres), gshieldc_t3(3,-1:maxres),
26      & gshieldc_loc_t3(3,-1:maxres),
27      & gshieldx_t4(3,-1:maxres), gshieldc_t4(3,-1:maxres),
28      & gshieldc_loc_t4(3,-1:maxres),
29      & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres),
30      & gshieldc_loc_ll(3,-1:maxres),
31      & gvdwc_scp(3,maxres),ghpbx(3,maxres),ghpbc(3,maxres),
32      & gsaxsC(3,-1:maxres),gsaxsX(3,-1:maxres),
33      & gloc(maxvar,2),gradcorr(3,maxres),gradxorr(3,maxres),
34      & gradcorr5(3,maxres),gradcorr6(3,maxres),
35      & gel_loc(3,maxres),gcorr3_turn(3,maxres),gcorr4_turn(3,maxres),
36      & gcorr6_turn(3,maxres),gradb(3,maxres),gradbx(3,maxres),
37      & gel_loc_loc(maxvar),gel_loc_turn3(maxvar),gel_loc_turn4(maxvar),
38      & gel_loc_turn6(maxvar),gcorr_loc(maxvar),
39      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
40      & gsccorx(3,maxres),gsccor_loc(maxres),
41      & gscloc(3,maxres),gsclocx(3,maxres),nfl,icg,calc_grad
42       double precision derx,derx_turn
43       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
44       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
45      &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
46      &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
47      &  dZZ_XYZtab(3,maxres)
48       common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
49      &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab