introcuction of cavity term for pepgroup for nanosphere
[unres.git] / source / unres / src_MD-M / COMMON.INTERACT
index f94a51b..f7ba255 100644 (file)
@@ -1,6 +1,7 @@
       double precision aa,bb,augm,aad,bad,app,bpp,ale6,ael3,ael6,
      &aa_lip,bb_lip,aa_aq,bb_aq,sc_aa_tube_par,sc_bb_tube_par,
-     & pep_aa_tube,pep_bb_tube,dcavtub,acavtub,bcavtub,ccavtub
+     & pep_aa_tube,pep_bb_tube,dcavtub,acavtub,bcavtub,ccavtub,
+     & dcavtubpep,acavtubpep,bcavtubpep,ccavtubpep
       double precision wdti,wdti2,wdti4,wdti8,
      &                 wdtii,wdtii2,wdtii4,wdtii8 
       common /nosehoover_dt/
@@ -16,7 +17,8 @@
      & aa_lip(ntyp,ntyp),bb_lip(ntyp,ntyp),
      & sc_aa_tube_par(ntyp),sc_bb_tube_par(ntyp),
      & pep_aa_tube,pep_bb_tube,acavtub(ntyp),dcavtub(ntyp),
-     & bcavtub(ntyp),ccavtub(ntyp),
+     & bcavtub(ntyp),ccavtub(ntyp),acavtubpep,dcavtubpep,
+     & bcavtubpep,ccavtubpep,
      & augm(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),