endif
! Settind dE/ddnres-1
!#define DEBUG
-#ifdef DEBUG
- j=1
- write(iout,*)"in int to carta",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
- gloc(2*nres-5,icg),dtheta(j,2,nres)
+!#ifdef DEBUG
+! j=1
+! write(iout,*)"in int to carta",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
+! gloc(2*nres-5,icg),dtheta(j,2,nres)
-#endif
+!#endif
!#undef DEBUG
do j=1,3
gcart(j,nres-1)=gcart(j,nres-1)+gloc(nres-3,icg)*dphi(j,3,nres)+ &
gloc(2*nres-5,icg)*dtheta(j,2,nres)
!#define DEBUG
-#ifdef DEBUG
- write(iout,*)"in int to cartb",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
- gloc(2*nres-5,icg),dtheta(j,2,nres)
-
-#endif
+!#ifdef DEBUG
+! write(iout,*)"in int to cartb",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
+! gloc(2*nres-5,icg),dtheta(j,2,nres)
+!
+!#endif
!#undef DEBUG
if((itype(nres-1,1).ne.10).and.(molnum(nres-1).ne.5)) then
gcart(j,nres-1)=gcart(j,nres-1)+gloc(ialph(nres-1,1),icg)* &
dalpha(j,2,nres-1)+gloc(ialph(nres-1,1)+nside,icg)* &
domega(j,2,nres-1)
!#define DEBUG
-#ifdef DEBUG
- write(iout,*)"in int to cart2",i,gcart(j,nres-1),gloc(ialph(nres-1,1),icg)* &
- dalpha(j,2,nres-1),gloc(ialph(nres-1,1)+nside,icg), &
- domega(j,2,nres-1)
+!#ifdef DEBUG
+! write(iout,*)"in int to cart2",i,gcart(j,nres-1),gloc(ialph(nres-1,1),icg)* &
+! dalpha(j,2,nres-1),gloc(ialph(nres-1,1)+nside,icg), &
+! domega(j,2,nres-1)
-#endif
+!#endif
!#undef DEBUG
endif
gxcart(j,i)=gxcart(j,i)+gloc(ialph(i,1),icg)*dalpha(j,3,i) &
+gloc(ialph(i,1)+nside,icg)*domega(j,3,i)
!#define DEBUG
-#ifdef DEBUG
- write(iout,*)"in int to cart",i, gxcart(j,i),gloc(ialph(i,1),icg),dalpha(j,3,i), &
- gloc(ialph(i,1)+nside,icg),domega(j,3,i)
-#endif
+!#ifdef DEBUG
+! write(iout,*)"in int to cart",i, gxcart(j,i),gloc(ialph(i,1),icg),dalpha(j,3,i), &
+! gloc(ialph(i,1)+nside,icg),domega(j,3,i)
+!#endif
!#undef DEBUG
enddo
endif