I do not know why parmchk segfaults. parmchk2 seems to hang when
generating the dihedrals.
The more obvious question would be why you want to deal with this
rather huge molecule in this way. As far as I can see your molecule is
built from about 20 identical residues. It would seems more sensible to
me to use a residue based approach for this.
On Mon, 23 Feb 2015 11:45:43 +0100
belen nieto <belenieto.uma.es> wrote:
> I have a problem with parmchk.
>
> I have got a .mol2 file I would like to check with parmchk, but when I
> write:
>
>
>
> parmchk -i 22monoSgass.mol2 -f mol2 -o mono.frcmod
>
>
>
> Segmentation Violation (` core ' generated)
>
>
>
> i have tried with another molecules and i haven't got this error.
>
>
>
> Thank you so much in advance.
>
>
>
> Belén
>
> Belén Nieto Ortega,
>
> Department of Physical Chemistry
>
> University of Malaga
>
> Campus de Teatinos s/n
>
> 29071 Malaga
>
> Phone: (+34) 952 131863
>
>
>
>
>
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Received on Mon Feb 23 2015 - 03:00:03 PST
