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Fixed the addition of dummy chain ends to structures read from UNRES PDB files
[unres.git]
/
source
/
wham
/
src
/
molread_zs.F
diff --git
a/source/wham/src/molread_zs.F
b/source/wham/src/molread_zs.F
index
87a3495
..
431680d
100644
(file)
--- a/
source/wham/src/molread_zs.F
+++ b/
source/wham/src/molread_zs.F
@@
-96,6
+96,7
@@
C Convert sequence to numeric code
write(iout,*) 'NNT=',NNT,' NCT=',NCT
c Read distance restraints
if (constr_dist.gt.0) then
write(iout,*) 'NNT=',NNT,' NCT=',NCT
c Read distance restraints
if (constr_dist.gt.0) then
+ if (refstr) call read_ref_structure(*11)
call read_dist_constr
call hpb_partition
endif
call read_dist_constr
call hpb_partition
endif
@@
-119,6
+120,7
@@
c Read distance restraints
endif
write (iout,'(a)')
return
endif
write (iout,'(a)')
return
+ 11 stop "Error reading reference structure"
end
c-----------------------------------------------------------------------------
logical function seq_comp(itypea,itypeb,length)
end
c-----------------------------------------------------------------------------
logical function seq_comp(itypea,itypeb,length)