[modeller_usage] core dumped when reading my restraint file

[daniele bemporad <>]

Hi all
When in my .top file I include:

# Redefine the rd_restraints routine:
SUBROUTINE ROUTINE = 'rd_restraints'
# This is the default homology-derived restraints:
  READ_RESTRAINTS FILE = CSRFILE , ADD_RESTRAINTS =
off
# This is the additional user provided file:
  READ_RESTRAINTS FILE = 'my_restraint.rsr' ,
ADD_RESTRAINTS = on
  SET ADD_RESTRAINTS = off
  RETURN
END_SUBROUTINE

modeller dies with no message and dumps a core.
It seems to read my_restraint.rsr , because if I
introduce mistakes in the format they are recognised
and also because the lines in my_restraint.rsr are
present in the core file.

I tried to locate: READ_RESTRAINTS FILE =
'my_restraint.rsr' , ADD_RESTRAINTS = on
into the "special_restraints" subroutine, but the
result is still that modeller dies and dumps a core.

I have noticed that if I write
"READ_RESTRAINTS FILE = 'my_restraint.rsr' "
without "ADD_RESTRAINTS = on"
then everything works fine. But as far as I understand
the program, this would make modeller forget about
the homology-derived restraints, wouldn't it ?

Am I making some stupid mistake ?
Is there a problem with my compilation or with
this version of the program ?
Any help is greatly appreciated.
Many thanks
Daniele


	
		
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