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Adam's changes
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
readpdb.F
diff --git
a/source/unres/src-HCD-5D/readpdb.F
b/source/unres/src-HCD-5D/readpdb.F
index
1ffc884
..
1190bb1
100644
(file)
--- a/
source/unres/src-HCD-5D/readpdb.F
+++ b/
source/unres/src-HCD-5D/readpdb.F
@@
-585,9
+585,9
@@
C Calculate internal coordinates.
write (iout,'(/a)')
& "Cartesian coordinates of the reference structure"
write (iout,'(a,3(3x,a5),5x,3(3x,a5))')
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
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
& restyp(itype(ires)),ires,(c(j,ires),j=1,3),
& (c(j,ires+nres),j=1,3)
enddo