unres Adam's changes

[unres.git] / source / unres / src-HCD-5D / readpdb-mult.F

diff --git a/source/unres/src-HCD-5D/readpdb-mult.F b/source/unres/src-HCD-5D/readpdb-mult.F
index 76cb6b6..12d011e 100644 (file)
--- a/source/unres/src-HCD-5D/readpdb-mult.F
+++ b/source/unres/src-HCD-5D/readpdb-mult.F
@@ -163,6 +163,7 @@ c          write (2,*) "ires",ires," res ",res!," ity"!,ity
           if (atom.eq.'CA' .or. atom.eq.'CH3' .or. 
      &       res.eq.'NHE'.and.atom(:2).eq.'HN') then
             read(card(31:54),'(3f8.3)') (c(j,ires),j=1,3)
+            read(card(61:66),*) bfac(ires)
 c            write (iout,*) "backbone ",atom
 c            write (iout,*) ires,res,(c(j,ires),j=1,3)
 #ifdef DEBUG
@@ -186,7 +187,7 @@ c            write (2,*) "iii",iii
         endif
       enddo
    10 if(me.eq.king.or..not.out1file) 
-     & write (iout,'(a,i5)') ' Nres: ',ires
+     & write (iout,'(a,i7)') ' Nres: ',ires
 c      write (iout,*) "iii",iii
 C Calculate dummy residue coordinates inside the "chain" of a multichain
 C system
@@ -321,9 +322,9 @@ C Calculate internal coordinates.
       write (iout,'(/a)')
      &  "Cartesian coordinates of the reference structure"
       write (iout,'(a,3(3x,a5),5x,3(3x,a5))')
-     & "Residue ","X(CA)","Y(CA)","Z(CA)","X(SC)","Y(SC)","Z(SC)"
+     & "Residue   ","X(CA)","Y(CA)","Z(CA)","X(SC)","Y(SC)","Z(SC)"
       do ires=1,nres
-        write (iout,'(a3,1x,i4,3f8.3,5x,3f8.3)')
+        write (iout,'(a3,1x,i6,3f8.3,5x,3f8.3)')
      &    restyp(itype(ires)),ires,(c(j,ires),j=1,3),
      &    (c(j,ires+nres),j=1,3)
       enddo
@@ -547,7 +548,7 @@ c            write (iout,*) "sidechain ",atom
         endif
       enddo
    10 if(me.eq.king.or..not.out1file) 
-     & write (iout,'(a,i5)') ' Nres: ',ires
+     & write (iout,'(a,i7)') ' Nres: ',ires
 C Calculate dummy residue coordinates inside the "chain" of a multichain
 C system
       nres=ires