X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc-HCD-5D%2Freadpdb.F;h=c56b1df728ed37f0251635c88a0669e21fef7e9b;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=1ffc8846ff3fd0f9a8ab664ca405e7723614efe5;hpb=fd10e81284102e5a8466e05c87f0202979a2f00b;p=unres.git

diff --git a/source/unres/src-HCD-5D/readpdb.F b/source/unres/src-HCD-5D/readpdb.F
index 1ffc884..c56b1df 100644
--- a/source/unres/src-HCD-5D/readpdb.F
+++ b/source/unres/src-HCD-5D/readpdb.F
@@ -30,6 +30,7 @@ C geometry.
       lsecondary=.false.
       nhfrag=0
       nbfrag=0
+      ires=0
       do
         read (ipdbin,'(a80)',end=10) card
         if (card(:5).eq.'HELIX') then
@@ -585,9 +586,9 @@ 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,i3,3f8.3,5x,3f8.3)') 
+        write (iout,'(a3,1x,i4,3f8.3,5x,3f8.3)') 
      &    restyp(itype(ires)),ires,(c(j,ires),j=1,3),
      &    (c(j,ires+nres),j=1,3)
       enddo