c write (iout,*) 'theta=', theta(i-1)
enddo
#else
+ if (i.gt. nnt+2 .and. i.lt.nct+2) then
+ iti = itortyp(itype(i-2))
+ else
+ iti=ntortyp+1
+ endif
+c if (i.gt. iatel_s+1 .and. i.lt.iatel_e+4) then
+ if (i.gt. nnt+1 .and. i.lt.nct+1) then
+ iti1 = itortyp(itype(i-1))
+ else
+ iti1=ntortyp+1
+ endif
b1(1,i-2)=b(3,iti)
b1(2,i-2)=b(5,iti)
b2(1,i-2)=b(2,iti)
do k=1,2
mu(k,i-2)=Ub2(k,i-2)+b1(k,i-1)
enddo
+C write (iout,*) 'mumu',i,b1(1,i-1),Ub2(1,i-2)
c write (iout,*) 'mu ',mu(:,i-2),i-2
cd write (iout,*) 'mu1',mu1(:,i-2)
cd write (iout,*) 'mu2',mu2(:,i-2)
& +a33*muij(4)
c write (iout,*) 'i',i,' j',j,itype(i),itype(j),
c & ' eel_loc_ij',eel_loc_ij
-c write(iout,*) 'muije=',muij(1),muij(2),muij(3),muij(4)
+C write(iout,*) 'muije=',i,j,muij(1),muij(2),muij(3),muij(4)
C Calculate patrial derivative for theta angle
#ifdef NEWCORR
geel_loc_ij=a22*gmuij1(1)