introcuction of cavity term for pepgroup for nanosphere
[unres.git] / source / unres / src_MD-M / 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,dcavtub,acavtub,bcavtub,ccavtub,
4      & dcavtubpep,acavtubpep,bcavtubpep,ccavtubpep
5       double precision wdti,wdti2,wdti4,wdti8,
6      &                 wdtii,wdtii2,wdtii4,wdtii8 
7       common /nosehoover_dt/
8      &   wdti(maxyosh),wdti2(maxyosh),wdti4(maxyosh),wdti8(maxyosh),
9      &   wdtii(maxyosh),wdtii2(maxyosh),wdtii4(maxyosh),wdtii8(maxyosh)
10       integer expon,expon2
11       integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,
12      & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart,
13      & iscpend,iatsc_s,iatsc_e,
14      & iatel_s,iatel_e,iatscp_s,iatscp_e,iatel_s_vdw,iatel_e_vdw,
15      & ispp,iscp
16       common /interact/aa_aq(ntyp,ntyp),bb_aq(ntyp,ntyp),
17      & aa_lip(ntyp,ntyp),bb_lip(ntyp,ntyp),
18      & sc_aa_tube_par(ntyp),sc_bb_tube_par(ntyp),
19      & pep_aa_tube,pep_bb_tube,acavtub(ntyp),dcavtub(ntyp),
20      & bcavtub(ntyp),ccavtub(ntyp),acavtubpep,dcavtubpep,
21      & bcavtubpep,ccavtubpep,
22      & augm(ntyp,ntyp),
23      & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
24      & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
25      & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
26      & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres),
27      & ielend_vdw(maxres),nscp_gr(maxres),
28      & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
29      & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
30      & iatscp_s,iatscp_e,ispp,iscp
31 C 12/1/95 Array EPS included in the COMMON block.
32       double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,alp,
33      & sigma0,sigii,
34      & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp
35       common /body/eps(ntyp,ntyp),epslip(ntyp,ntyp),
36      & sigma(0:ntyp1,0:ntyp1),
37      & sigmaii(ntyp,ntyp),
38      & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),alp(ntyp),sigma0(ntyp),
39      & sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),r0d(ntyp,2),
40      & rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),eps_scp(ntyp,2),
41      & rscp(ntyp,2)
42 c 12/5/03 modified 09/18/03 Bond stretching parameters.
43       double precision vbldp0,vbldpDUM,
44      &  vbldsc0,akp,aksc,abond0,distchainmax
45       integer nbondterm
46       common /stretch/ vbldp0,vbldpDUM,
47      & vbldsc0(maxbondterm,ntyp),akp,
48      & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),
49      & distchainmax,nbondterm(ntyp)
50 C 01/29/15 Lipidic parameters
51       double precision   pepliptran,liptranene,
52      &tubetranene, tubetranenepep
53       common /lipid/ pepliptran,liptranene(ntyp)
54       common /tubepar/ tubetranene(ntyp), tubetranenepep
55