X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M-SAXS-homology%2Fenergy_p_new.F;h=1842afdb2ac36e6c3a766673cd1c4245f502667d;hb=75c81b9dbe2f7e18e73a9d61ee02980790335164;hp=6abf7f0fed22d55dbf1326c89a6451a785582257;hpb=bc76b87e4047a43ab05ddda45eb2dc1eae401410;p=unres.git

diff --git a/source/wham/src-M-SAXS-homology/energy_p_new.F b/source/wham/src-M-SAXS-homology/energy_p_new.F
index 6abf7f0..1842afd 100644
--- a/source/wham/src-M-SAXS-homology/energy_p_new.F
+++ b/source/wham/src-M-SAXS-homology/energy_p_new.F
@@ -5479,14 +5479,14 @@ C        if (itype(i-1).eq.ntyp1) cycle
           coskt(k)=dcos(k*theti2)
           sinkt(k)=dsin(k*theti2)
         enddo
-        if (i.eq.3) then 
-          phii=0.0d0
-          ityp1=nthetyp+1
-          do k=1,nsingle
-            cosph1(k)=0.0d0
-            sinph1(k)=0.0d0
-          enddo
-        else
+cu        if (i.eq.3) then 
+cu          phii=0.0d0
+cu          ityp1=nthetyp+1
+cu          do k=1,nsingle
+cu            cosph1(k)=0.0d0
+cu            sinph1(k)=0.0d0
+cu          enddo
+cu        else
         if (i.gt.3 .and. itype(i-3).ne.ntyp1) then
 #ifdef OSF
           phii=phi(i)
@@ -5508,7 +5508,7 @@ c          ityp1=nthetyp+1
             sinph1(k)=0.0d0
           enddo 
         endif
-        endif
+cu        endif
         if (i.lt.nres .and. itype(i+1).ne.ntyp1) then
 #ifdef OSF
           phii1=phi(i+1)