Debug part 5

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

diff --git a/source/unres/src_MD/intcartderiv.F b/source/unres/src_MD/intcartderiv.F
index 5da4fc7..c4bf31c 100644 (file)
--- a/source/unres/src_MD/intcartderiv.F
+++ b/source/unres/src_MD/intcartderiv.F
@@ -61,11 +61,11 @@ c We need dtheta(:,:,i-1) to compute dphi(:,:,i)
 CC Calculate derivative over first omicron (Cai-2,Cai-1,SCi-1) 
           dcosomicron(j,1,1,i)=-(dc_norm(j,i-1+nres)+
      &    cost1*dc_norm(j,i-2))/
-     &   vbld(i-1)
-          domicron(j,1,1,i)=-1/sint1*dcosomicron(j,1,1,i)     
+     &    vbld(i-1)
+          domicron(j,1,1,i)=-1.0/sint1*dcosomicron(j,1,1,i)     
           dcosomicron(j,1,2,i)=-(dc_norm(j,i-2)
      &    +cost1*(dc_norm(j,i-1+nres)))/
-     &   vbld(i-1+nres)
+     &    vbld(i-1+nres)
           domicron(j,1,2,i)=-1/sint1*dcosomicron(j,1,2,i)  
 CC Calculate derivative over second omicron Sci-1,Cai-1 Cai
 CC Looks messy but better than if in loop