external ilen
C
nres0=nres
- write (iout,*) "pdbref",pdbref
+c write (iout,*) "pdbref",pdbref
if (pdbref) then
read(inp,'(a)') pdbfile
write (iout,'(2a,1h.)') 'PDB data will be read from file ',
& nsup)) then
do j=nnt+nsup-1,nnt,-1
do k=1,3
- cref(k,nres+j+i)=cref(k,nres_pdb+j)
+ cref_pdb(k,nres+j+i,1)=cref_pdb(k,nres_pdb+j,1)
enddo
enddo
do j=nnt+nsup-1,nnt,-1
do k=1,3
- cref(k,j+i)=cref(k,j)
+ cref_pdb(k,j+i,1)=cref_pdb(k,j,1)
enddo
phi_ref(j+i)=phi_ref(j)
theta_ref(j+i)=theta_ref(j)
#ifdef DEBUG
do j=nnt,nct
write (iout,'(i5,3f10.5,5x,3f10.5)')
- & j,(cref(k,j),k=1,3),(cref(k,j+nres),k=1,3)
+ & j,(cref_pdb(k,j,1),k=1,3),(cref_pdb(k,j+nres,1),k=1,3)
enddo
#endif
nstart_seq=nnt+i
nsup=nct-nnt+1
do i=1,2*nres
do j=1,3
- cref(j,i)=c(j,i)
+ cref_pdb(j,i,1)=c(j,i)
enddo
enddo
endif
nend_sup=nstart_sup+nsup-1
do i=1,2*nres
do j=1,3
- c(j,i)=cref(j,i)
+ c(j,i)=cref_pdb(j,i,1)
enddo
enddo
do i=1,nres
do j=1,3
- dc(j,nres+i)=cref(j,nres+i)-cref(j,i)
+ dc(j,nres+i)=cref_pdb(j,nres+i,1)-cref_pdb(j,i,1)
enddo
if (itype(i).ne.10) then
ddsc = dist(i,nres+i)