X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fintcartderiv.F;h=c4bf31c43be2cf401c4fecc5b390d6707b63b04c;hb=b4054889e690bb9994dc79deb014e5acd8611d76;hp=5da4fc773be24876a57de325f0958ea12114530f;hpb=ab3dd5e6cc84585110261c2302778e5e689511f0;p=unres.git

diff --git a/source/unres/src_MD/intcartderiv.F b/source/unres/src_MD/intcartderiv.F
index 5da4fc7..c4bf31c 100644
--- 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