Added src_Eshel (decoy processing for threading)
[unres.git] / source / unres / src_MD-NEWSC / COMMON.INTERACT
1       double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6,
2      & chis,alphasur,sigmap1,sigmap2,alphiso,rborn,sigiso1,sigiso2,
3      & sig0head,epshead,wquad,dhead,dtail,wqdip,alphapol,wstate,
4      & epsintab,eps_out
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,nstate,icharge
11       common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp),
12      & chis(ntyp,ntyp),alphasur(4,ntyp,ntyp),sigmap1(ntyp,ntyp),
13      & sigmap2(ntyp,ntyp),alphiso(4,ntyp,ntyp),alphapol(ntyp,ntyp),
14      & rborn(ntyp,ntyp),sigiso1(ntyp,ntyp),sigiso2(ntyp,ntyp),
15      & epshead(ntyp,ntyp),wquad(ntyp,ntyp),dhead(2,2,ntyp,ntyp),
16      & dtail(2,ntyp,ntyp),wqdip(2,ntyp,ntyp),epsintab(ntyp,ntyp),
17      & eps_out,wstate(4,ntyp,ntyp),sig0head(ntyp,ntyp),
18      & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
19      & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
20      & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
21      & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres),
22      & ielend_vdw(maxres),nscp_gr(maxres),
23      & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
24      & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
25      & iatscp_s,iatscp_e,ispp,iscp,nstate(ntyp,ntyp)
26 C 12/1/95 Array EPS included in the COMMON block.
27       double precision eps,sigma,sigmaii,rs0,chi,chip,alp,sigma0,sigii,
28      & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp,chipp
29       common /body/eps(ntyp,ntyp),sigma(0:ntyp1,0:ntyp1),
30      & sigmaii(ntyp,ntyp),
31      & icharge(ntyp),
32      & rs0(ntyp,ntyp),chi(ntyp,ntyp),chipp(ntyp,ntyp),chip(ntyp),
33      & alp(ntyp),sigma0(ntyp),
34      & sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),r0d(ntyp,2),
35      & rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),eps_scp(20,2),rscp(20,2)
36 c 12/5/03 modified 09/18/03 Bond stretching parameters.
37       double precision vbldp0,vbldsc0,akp,aksc,abond0
38       integer nbondterm
39       common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp,
40      & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),nbondterm(ntyp)
41       double precision wdti,wdti2,wdti4,wdti8,
42      &                 wdtii,wdtii2,wdtii4,wdtii8 
43       common /nosehoover_dt/ 
44      &   wdti(maxyosh),wdti2(maxyosh),wdti4(maxyosh),wdti8(maxyosh),
45      &   wdtii(maxyosh),wdtii2(maxyosh),wdtii4(maxyosh),wdtii8(maxyosh)