X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;fp=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=47583a4e0791d0fcb764701c868fb9a2b3893257;hp=945c3636961f26c84e1e1a699eae6a24a8f12b83;hb=050ed1574772b7d2bdee4225feda68c312beca75;hpb=7359d54981227ebc66af5d3d191e098b7357d92e

diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F
index 945c363..47583a4 100644
--- a/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@ -4942,11 +4942,9 @@ C        if (i.gt.3) then
           enddo
         enddo
 10      continue
-c        lprn1=.true.
         if (lprn1) write (iout,'(a4,i2,3f8.1,9h ethetai ,f10.5)') 
      &  'ebe', i,theta(i)*rad2deg,phii*rad2deg,
      &   phii1*rad2deg,ethetai
-c        lprn1=.false.
         etheta=etheta+ethetai
         if (i.gt.3) gloc(i-3,icg)=gloc(i-3,icg)+wang*dephii
         if (i.lt.nres) gloc(i-2,icg)=gloc(i-2,icg)+wang*dephii1
@@ -5984,7 +5982,8 @@ cc Omicron is flat angle depending on the value of first digit
 c(see comment below)
 C        print *,i,tauangle(1,i)
         
-        do intertyp=1,3 !intertyp
+c        do intertyp=1,3 !intertyp
+        do intertyp=2,2 !intertyp
 cc Added 09 May 2012 (Adasko)
 cc  Intertyp means interaction type of backbone mainchain correlation: 
 c   1 = SC...Ca...Ca...Ca
@@ -6022,7 +6021,8 @@ c     &gloc_sc(intertyp,i-3,icg)
        enddo !intertyp
       enddo
 c        do i=1,nres
-c        write (iout,*) "W@T@F",  gloc_sc(1,i,icg),gloc(i,icg)
+c        write (iout,*) "W@T@F",  gloc_sc(1,i,icg),gloc_sc(2,i,icg),
+c     &   gloc_sc(3,i,icg)
 c        enddo
       return
       end