Ok! I will try any of the options that you suggest.
Thank you very much for your time.
Best regards.
Miguel
2017-02-17 14:24 GMT+01:00 David Case <david.case.rutgers.edu>:
> On Fri, Feb 17, 2017, Miguel Garavís wrote:
> >
> > I have very recently installed Amber12 on my Mac. I want to convert a
> .upl
> > file containing NMR restrictions into a .rst file, using makeDIST_RST. I
> > have in my work directory both the .pdb and the .upl files. I have also
> de
> > map file and I use a script (excdiatoamber) to call makeDIST_RST. When I
> > run the script (./excdiatoamber) I got an error:
> >
> > Currently configured for up to 50000 atoms
> >
> > Using MAP file map.DG-AMBER_PROTEIN_DYANA
> >
> > ./excdiatoamber: line 1: 27097 Abort trap: 6
> > /Users/mgaravis/Amber12/bin/makeDIST_RST -upb $1 -pdb modelOK.pdb -rst
> > test.rst -map map.DG-AMBER_PROTEIN_DYANA -report
> >
> > I have run the same script with the same files (just changing the path)
> in
> > another computer and it does work fine, but not in mine. I cannot figure
> > out what it is going wrong... Could you give me some clue please?
>
> I don't have any clues here. It's good that it works on another computer,
> and
> that in turn makes it doubly difficult to debug via email.
>
> Amber12 is quite old, and we have made many improvements to the NMR
> restraint
> codes since then. Consider installing AmberTools16, although we no
> longer have files like map.DG-AMBER_PROTEIN_DYANA, so you might have to
> modify
> your workflow. The only other workaround I an think of is to run your
> conversions on the machine were makeDIST_RST works.
>
> ....dac
>
>
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Received on Fri Feb 17 2017 - 06:00:04 PST
