+ if (acavtubpep.eq.0.0d0) then
+C go to 667
+ enecavtube(i)=0.0
+ faccav=0.0
+ else
+ denominator=(1.0+dcavtubpep*rdiff6*rdiff6)
+ enecavtube(i)=
+ & (bcavtubpep*rdiff+acavtubpep*sqrt(rdiff)+ccavtubpep)
+ & /denominator
+ enecavtube(i)=0.0
+ faccav=((bcavtubpep*1.0d0+acavtubpep/2.0d0/sqrt(rdiff))
+ & *denominator-(bcavtubpep*rdiff+acavtubpep*sqrt(rdiff)
+ & +ccavtubpep)*rdiff6**2.0d0/rdiff*dcavtubpep*12.0d0)
+ & /denominator**2.0d0
+C faccav=0.0
+C fac=fac+faccav
+C 667 continue
+ endif
+C print *,"TUT",i,iti,rdiff,rdiff6,acavtubpep,denominator,
+C & enecavtube(i),faccav
+C print *,"licz=",
+C & (bcavtub(iti)*rdiff+acavtub(iti)*sqrt(rdiff)+ccavtub(iti))
+CX print *,"finene=",enetube(i+nres)+enecavtube(i)
+