Merge branch 'devel' into AFM

[unres.git] / source / unres / src_MD-NEWSC / COMMON.INTERACT

diff --git a/source/unres/src_MD-NEWSC/COMMON.INTERACT b/source/unres/src_MD-NEWSC/COMMON.INTERACT
new file mode 100644 (file)
index 0000000..9ac2c8b
--- /dev/null
+++ b/source/unres/src_MD-NEWSC/COMMON.INTERACT
@@ -0,0 +1,45 @@
+      double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6,
+     & chis,alphasur,sigmap1,sigmap2,alphiso,rborn,sigiso1,sigiso2,
+     & sig0head,epshead,wquad,dhead,dtail,wqdip,alphapol,wstate,
+     & epsintab,eps_out
+      integer expon,expon2
+      integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,
+     & ielstart,ielend,ielstart_vdw,ielend_vdw,nscp_gr,iscpstart,
+     & iscpend,iatsc_s,iatsc_e,
+     & iatel_s,iatel_e,iatscp_s,iatscp_e,iatel_s_vdw,iatel_e_vdw,
+     & ispp,iscp,nstate,icharge
+      common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp),
+     & chis(ntyp,ntyp),alphasur(4,ntyp,ntyp),sigmap1(ntyp,ntyp),
+     & sigmap2(ntyp,ntyp),alphiso(4,ntyp,ntyp),alphapol(ntyp,ntyp),
+     & rborn(ntyp,ntyp),sigiso1(ntyp,ntyp),sigiso2(ntyp,ntyp),
+     & epshead(ntyp,ntyp),wquad(ntyp,ntyp),dhead(2,2,ntyp,ntyp),
+     & dtail(2,ntyp,ntyp),wqdip(2,ntyp,ntyp),epsintab(ntyp,ntyp),
+     & eps_out,wstate(4,ntyp,ntyp),sig0head(ntyp,ntyp),
+     & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
+     & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
+     & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
+     & ielstart(maxres),ielend(maxres),ielstart_vdw(maxres),
+     & ielend_vdw(maxres),nscp_gr(maxres),
+     & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
+     & iatsc_s,iatsc_e,iatel_s,iatel_e,iatel_s_vdw,iatel_e_vdw,
+     & iatscp_s,iatscp_e,ispp,iscp,nstate(ntyp,ntyp)
+C 12/1/95 Array EPS included in the COMMON block.
+      double precision eps,sigma,sigmaii,rs0,chi,chip,alp,sigma0,sigii,
+     & rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp,chipp
+      common /body/eps(ntyp,ntyp),sigma(0:ntyp1,0:ntyp1),
+     & sigmaii(ntyp,ntyp),
+     & icharge(ntyp),
+     & rs0(ntyp,ntyp),chi(ntyp,ntyp),chipp(ntyp,ntyp),chip(ntyp),
+     & alp(ntyp),sigma0(ntyp),
+     & sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),r0d(ntyp,2),
+     & rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),eps_scp(20,2),rscp(20,2)
+c 12/5/03 modified 09/18/03 Bond stretching parameters.
+      double precision vbldp0,vbldsc0,akp,aksc,abond0
+      integer nbondterm
+      common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp,
+     & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),nbondterm(ntyp)
+      double precision wdti,wdti2,wdti4,wdti8,
+     &                 wdtii,wdtii2,wdtii4,wdtii8 
+      common /nosehoover_dt/ 
+     &   wdti(maxyosh),wdti2(maxyosh),wdti4(maxyosh),wdti8(maxyosh),
+     &   wdtii(maxyosh),wdtii2(maxyosh),wdtii4(maxyosh),wdtii8(maxyosh)