c call intcartderiv
c call checkintcartgrad
call zerograd
- aincr=1.0D-5
+ aincr=10.0D-6
write(iout,*) 'Calling CHECK_ECARTINT.'
nf=0
icall=0
endif
write (iout,'(/a/)') 'Gradient in virtual-bond and SC vectors'
do i=0,nres
+ print *,i
do j=1,3
xx(j)=c(j,i+nres)
ddc(j)=dc(j,i)