corrections in wham and clust

[unres.git] / source / wham / src-M / energy_p_new.F

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index be6ed2a..544a6c7 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -2016,7 +2016,7 @@ C      write (iout,*) 'iatel_s=',iatel_s,' iatel_e=',iatel_e
         gcorr_loc(i)=0.0d0
       enddo
       do i=iatel_s,iatel_e
-          write (iout,*) i,"i2",itype(i)
+C          write (iout,*) i,"i2",itype(i)
           if (i.eq.1) cycle 
 C           if (itype(i).eq.ntyp1.or. itype(i+1).eq.ntyp1
 C     &  .or. itype(i+2).eq.ntyp1) cycle
@@ -3857,9 +3857,9 @@ C
       etheta=0.0D0
 c      write (iout,*) "ithetyp",(ithetyp(i),i=1,ntyp1)
       do i=ithet_start,ithet_end
-C         if (i.eq.2) cycle
+         if (i.eq.2) cycle
 C        if (itype(i-1).eq.ntyp1) cycle
-        if (i.le.2) cycle
+C        if (i.le.2) cycle
         if ((itype(i-1).eq.ntyp1).or.itype(i-2).eq.ntyp1
      &  .or.itype(i).eq.ntyp1) cycle
         if (iabs(itype(i+1)).eq.20) iblock=2