Merge branch 'bartek' of mmka.chem.univ.gda.pl:unres into bartek
[unres.git] / source / unres / src_MD / COMMON.INTERACT
1       double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6
2       integer expon,expon2
3       integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,
4      & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart,
5      & iscpend,iatsc_s,iatsc_e,
6      & iatel_s,iatel_e,iatscp_s,iatscp_e,iatel_s_vdw,iatel_e_vdw,
7      & ispp,iscp
8       common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp),
9      & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
10      & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
11      & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
12      & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres),
13      & ielend_vdw(maxres),nscp_gr(maxres),
14      & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
15      & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
16      & iatscp_s,iatscp_e,ispp,iscp
17 C 12/1/95 Array EPS included in the COMMON block.
18       double precision eps,sigma,sigmaii,rs0,chi,chip,alp,sigma0,sigii,
19      & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp
20       common /body/eps(ntyp,ntyp),sigma(0:ntyp1,0:ntyp1),
21      & sigmaii(ntyp,ntyp),
22      & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),alp(ntyp),sigma0(ntyp),
23      & sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),r0d(ntyp,2),
24      & rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),eps_scp(20,2),rscp(20,2)
25 c 12/5/03 modified 09/18/03 Bond stretching parameters.
26       double precision vbldp0,vbldsc0,akp,aksc,abond0
27       integer nbondterm
28       common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp,
29      & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),nbondterm(ntyp)
30       double precision wdti,wdti2,wdti4,wdti8,
31      &                 wdtii,wdtii2,wdtii4,wdtii8 
32       common /nosehoover_dt/ 
33      &   wdti(maxyosh),wdti2(maxyosh),wdti4(maxyosh),wdti8(maxyosh),
34      &   wdtii(maxyosh),wdtii2(maxyosh),wdtii4(maxyosh),wdtii8(maxyosh)