Adam's corrections

[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 4c47572..40bf9ac 100644 (file)
--- a/source/unres/src-HCD-5D/readpdb-mult.F
+++ b/source/unres/src-HCD-5D/readpdb-mult.F
@@ -304,9 +304,9 @@ 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
@@ -346,9 +346,9 @@ C Copy the coordinates to reference coordinates
       enddo
   100 format (//'              alpha-carbon coordinates       ',
      &          '     centroid coordinates'/
-     1          '       ', 6X,'X',11X,'Y',11X,'Z',
+     1          '       ', 7X,'X',11X,'Y',11X,'Z',
      &                          10X,'X',11X,'Y',11X,'Z')
-  110 format (a,'(',i3,')',6f12.5)
+  110 format (a,'(',i4,')',6f12.5)
 cc enddiag
       do j=1,nbfrag     
         do i=1,4                                                       
@@ -644,9 +644,9 @@ 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