bug fix after Ana and cluster lipid (still in progress)

[unres.git] / source / cluster / wham / src-M / include_unres / COMMON.INTERACT

diff --git a/source/cluster/wham/src-M/include_unres/COMMON.INTERACT b/source/cluster/wham/src-M/include_unres/COMMON.INTERACT
index 0db8895..1c0b8db 100644 (file)
--- a/source/cluster/wham/src-M/include_unres/COMMON.INTERACT
+++ b/source/cluster/wham/src-M/include_unres/COMMON.INTERACT
@@ -1,8 +1,10 @@
-      double precision aa,bb,augm,aad,bad,app,bpp,ael6,ael3
+      double precision aa_aq,bb_aq,augm,aad,bad,app,bpp,ael6,ael3,
+     & aa_lip,bb_lip
       integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,ielstart,
      & ielend,nscp_gr,iscpstart,iscpend,iatsc_s,iatsc_e,iatel_s,
      & iatel_e,iatscp_s,iatscp_e,ispp,iscp,expon,expon2
-      common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp),
+      common /interact/aa_aq(ntyp,ntyp),bb_aq(ntyp,ntyp),
+     & augm(ntyp,ntyp),aa_lip(ntyp,ntyp),bb_lip(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,
@@ -10,10 +12,12 @@
      & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
      & iatsc_s,iatsc_e,iatel_s,iatel_e,iatscp_s,iatscp_e,ispp,iscp
 C 12/1/95 Array EPS included in the COMMON block.
-      double precision eps,sigma,sigmaii,rs0,chi,chip,chip0,alp,signa0,
+      double precision eps,epslip,sigma,sigmaii,rs0,chi,chip,chip0,
+     & alp,signa0,
      & sigii,sigma0,rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp,
      & eps_orig
-      common /body/eps(ntyp,ntyp),sigma(ntyp,ntyp),sigmaii(ntyp,ntyp),
+      common /body/eps(ntyp,ntyp),epslip(ntyp,ntyp),
+     & sigma(ntyp,ntyp),sigmaii(ntyp,ntyp),
      & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),chip0(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),
@@ -26,3 +30,7 @@ c 12/5/03 modified 09/18/03 Bond stretching parameters.
      & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),
      & distchainmax,nbondterm(ntyp)
      &,vbldpDUM
+C 01/29/15 Lipidic parameters
+      double precision   pepliptran,liptranene
+      common /lipid/ pepliptran,liptranene(ntyp)
+