c call intcartderiv
c call checkintcartgrad
call zerograd
- aincr=1.0D-6
+ aincr=1.0D-4
write(iout,*) 'Calling CHECK_ECARTINT.'
nf=0
icall=0
tauangle(1,i+1)=beta(i-1+nres,i-1,i,i+1)
omicron(1,i)=alpha(i-2,i-1,i-1+nres)
omicron(2,i)=alpha(i-1+nres,i-1,i)
+C print *,i,omicron(1,i),omicron(2,i)
endif
if (itype(i).ne.10) then
tauangle(2,i+1)=beta(i-2,i-1,i,i+nres)
endif
endif
+c write (2,*) "i",i,tauangle(1,i+1),tauangle(2,i+1),
+c & omicron(1,i),omicron(2,i)
omeg(i)=beta(nres+i,i,maxres2,i+1)
alph(i)=alpha(nres+i,i,maxres2)
theta(i+1)=alpha(i-1,i,i+1)