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[unres.git] / source / unres / src-HCD-5D / COMMON.INTERACT
1       double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6,
2      &aa_lip,bb_lip,aa_aq,bb_aq,sc_aa_tube_par,sc_bb_tube_par,
3      & pep_aa_tube,pep_bb_tube
4
5       integer expon,expon2
6       integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,
7      & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart,
8      & iscpend,iatsc_s,iatsc_e,
9      & iatel_s,iatel_e,iatscp_s,iatscp_e,iatel_s_vdw,iatel_e_vdw,
10      & ispp,iscp
11       common /interact/aa_aq(ntyp,ntyp),bb_aq(ntyp,ntyp),
12      & aa_lip(ntyp,ntyp),bb_lip(ntyp,ntyp),
13      & sc_aa_tube_par(ntyp),sc_bb_tube_par(ntyp),
14      & pep_aa_tube,pep_bb_tube,
15      & augm(ntyp,ntyp),
16      & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
17      & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
18      & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
19      & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres),
20      & ielend_vdw(maxres),nscp_gr(maxres),
21      & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
22      & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
23      & iatscp_s,iatscp_e,ispp,iscp
24 C 3/26/20 Interaction lists
25 C 10/26/20 Upgraded to interaction lists for RESPA
26       integer newcontlisti(maxint_res*maxres),
27      & newcontlisti_long(maxint_res*maxres),
28      & newcontlisti_short(maxint_res*maxres),
29      & newcontlistj(maxint_res*maxres),
30      & newcontlistj_long(maxint_res*maxres),
31      & newcontlistj_short(maxint_res*maxres),
32      & newcontlistppi(maxint_res*maxres),
33      & newcontlistppj(maxint_res*maxres),
34      & newcontlistpp_vdwi_short(maxint_res*maxres),
35      & newcontlistpp_vdwj_short(maxint_res*maxres),
36      & newcontlistscpi(2*maxint_res*maxres),
37      & newcontlistscpi_long(2*maxint_res*maxres),
38      & newcontlistscpi_short(2*maxint_res*maxres),
39      & newcontlistscpj(2*maxint_res*maxres),
40      & newcontlistscpj_long(2*maxint_res*maxres),
41      & newcontlistscpj_short(2*maxint_res*maxres),
42      & g_listscsc_start,g_listscsc_end,g_listpp_start,g_listpp_end,
43      & g_listscp_start,g_listscp_end,
44      & g_listscsc_start_long,g_listscsc_end_long,
45      & g_listscp_start_long,g_listscp_end_long,
46      & g_listscsc_start_short,g_listscsc_end_short,
47      & g_listpp_vdw_start_short,g_listpp_vdw_end_short,
48      & g_listscp_start_short,g_listscp_end_short
49       common /interact_list/
50      & newcontlisti,newcontlisti_long,newcontlisti_short,
51      & newcontlistj,newcontlistj_long,newcontlistj_short,
52      & g_listscsc_start,g_listscsc_start_long,g_listscsc_start_short,
53      & g_listscsc_end,g_listscsc_end_long,g_listscsc_end_short,
54      & newcontlistppi,newcontlistppj,g_listpp_start,
55      & g_listpp_end,
56      & newcontlistpp_vdwi_short,
57      & newcontlistpp_vdwj_short,
58      & g_listpp_vdw_start_short,
59      & g_listpp_vdw_end_short,
60      & newcontlistscpi,newcontlistscpi_long,newcontlistscpi_short,
61      & newcontlistscpj,newcontlistscpj_long,newcontlistscpj_short,
62      & g_listscp_start,g_listscp_start_long,g_listscp_start_short,
63      & g_listscp_end,g_listscp_end_long,g_listscp_end_short
64 C 12/1/95 Array EPS included in the COMMON block.
65       double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,alp,
66      & sigma0,sigii,
67      & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp
68       common /body/eps(ntyp,ntyp),epslip(ntyp,ntyp),
69      & sigma(0:ntyp1,0:ntyp1),
70      & sigmaii(ntyp,ntyp),
71      & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),alp(ntyp),sigma0(ntyp),
72      & sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),r0d(ntyp,2),
73      & rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),eps_scp(ntyp,2),
74      & rscp(ntyp,2)
75 c 12/5/03 modified 09/18/03 Bond stretching parameters.
76       double precision vbldp0,vbldpDUM,
77      &  vbldsc0,akp,aksc,abond0,distchainmax
78       integer nbondterm
79       common /stretch/ vbldp0,vbldpDUM,
80      & vbldsc0(maxbondterm,ntyp),akp,
81      & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),
82      & distchainmax,nbondterm(ntyp)
83 C 01/29/15 Lipidic parameters
84       double precision   pepliptran,liptranene, lipscale, 
85      &tubetranene, tubetranenepep
86       common /lipid/ pepliptran,liptranene(ntyp),lipscale
87       common /tubepar/ tubetranene(ntyp), tubetranenepep
88