dzialajacy grad check....

[unres.git] / source / unres / src_MD / energy_p_new_barrier.F

diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F
index 3979f64..f07517b 100644 (file)
--- a/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@ -5880,13 +5880,14 @@ c(see comment below)
 cc Omicron is flat angle depending on the value of first digit 
 c(see comment below)
 
 cc Omicron is flat angle depending on the value of first digit 
 c(see comment below)
 

-        gloci=0.0D0
-        do intertyp=1,1 !intertyp
+        
+        do intertyp=1,3 !intertyp

 cc Added 09 May 2012 (Adasko)
 cc  Intertyp means interaction type of backbone mainchain correlation: 
 c   1 = SC...Ca...Ca...Ca
 c   2 = Ca...Ca...Ca...SC
 cc Added 09 May 2012 (Adasko)
 cc  Intertyp means interaction type of backbone mainchain correlation: 
 c   1 = SC...Ca...Ca...Ca
 c   2 = Ca...Ca...Ca...SC

-c   3 = SC...Ca...Ca...SC
+c   3 = SC...Ca...Ca...SCi
+        gloci=0.0D0

         if (((intertyp.eq.3).and.((itype(i-2).eq.10).or.
      &      (itype(i-1).eq.10).or.(itype(i-2).eq.21).or.
      &      (itype(i-1).eq.21)))
         if (((intertyp.eq.3).and.((itype(i-2).eq.10).or.
      &      (itype(i-1).eq.10).or.(itype(i-2).eq.21).or.
      &      (itype(i-1).eq.21)))