include 'COMMON.CONTROL'
logical lprn
C Set lprn=.true. for debugging
-c lprn=.false.
- lprn=.true.
+ lprn=.false.
+c lprn=.true.
c write (iout,*) "EBACK_SC_COR",itau_start,itau_end,nterm_sccor
esccor=0.0D0
do i=itau_start,itau_end
if ((intertyp.eq.2).and.(i.eq.4).and.(itype(1).eq.21)) cycle
if ((intertyp.eq.1).and.(i.eq.nres).and.(itype(nres).eq.21))
& cycle
- esccori=0.0d0
do j=1,nterm_sccor(isccori,isccori1)
v1ij=v1sccor(j,intertyp,isccori,isccori1)
v2ij=v2sccor(j,intertyp,isccori,isccori1)
cosphi=dcos(j*tauangle(intertyp,i))
sinphi=dsin(j*tauangle(intertyp,i))
- esccori=esccori+v1ij*cosphi+v2ij*sinphi
+ esccor=esccor+v1ij*cosphi+v2ij*sinphi
gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi)
enddo
- esccor=esccor+esccori
gloc_sc(intertyp,i-3,icg)=gloc_sc(intertyp,i-3,icg)+wsccor*gloci
c write (iout,*) "WTF",intertyp,i,itype(i),v1ij*cosphi+v2ij*sinphi
c &gloc_sc(intertyp,i-3,icg)
- if (lprn) then
- write (iout,'(2(a3,2x,i3,2x),2i3,6f8.3/26x,6f8.3/)')
- & restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,isccori,isccori1,
- & (v1sccor(j,intertyp,isccori,isccori1),j=1,6)
- & ,(v2sccor(j,intertyp,isccori,isccori1),j=1,6)
- write (iout,*) "esccori",esccori
- call flush(iout)
- endif
+ if (lprn)
+ & write (iout,'(2(a3,2x,i3,2x),2i3,6f8.3/26x,6f8.3/)')
+ & restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,itori,itori1,
+ & (v1sccor(j,intertyp,itori,itori1),j=1,6)
+ & ,(v2sccor(j,intertyp,itori,itori1),j=1,6)
gsccor_loc(i-3)=gsccor_loc(i-3)+gloci
enddo !intertyp
enddo