you are a genius!
sometimes we should also try the most trivial solutions!
On Fri, Oct 5, 2018 at 8:49 PM dhaval patel <pateldhaval.in.gmail.com>
wrote:
> Just try invert way first inpcrd and then prmtop it moght work in your
> case. It worked for me in same error.
>
> Regards
> Dhaval
>
> On Friday, October 5, 2018, Antonio Amber Carlesso <
> antonio.amber.carlesso.gmail.com> wrote:
>
> > Hi all,
> >
> > While using acpype, to convert .top and .crd files to gromacs input
> file, I
> > received this error:
> >
> > [carlesso.hebbe model_73_plus_kira]$ *python **$SCRIPTS/acpype.py -p
> > model_73_plus_kira.prmtop -x model_73_plus_kira.inpcrd*
> >
> > ============================================================
> > ================
> >
> > | ACPYPE: AnteChamber PYthon Parser interfacE v. 0 0 Rev: 0 (c) 2018
> AWSdS
> > |
> >
> > ============================================================
> > ================
> >
> > Converting Amber input files to Gromacs ...
> >
> > ACPYPE FAILED: local variable 'f' referenced before assignment
> >
> > Total time of execution: less than a second
> >
> >
> >
> >
> >
> >
> > Do anyone has some ideas what has happened?
> >
> >
> >
> >
> > It generally works
> >
> > just an example below!
> >
> > [carlesso.hebbe model_2_plus_ribo_try]$ *python $SCRIPTS/acpype.py -p
> > model_2_plus_ribo.prmtop -x model_2_plus_ribo.inpcrd*
> >
> > ============================================================
> > ================
> >
> > | ACPYPE: AnteChamber PYthon Parser interfacE v. 0 0 Rev: 0 (c) 2018
> AWSdS
> > |
> >
> > ============================================================
> > ================
> >
> > Converting Amber input files to Gromacs ...
> >
> > ==> Writing GROMACS files
> >
> >
> >
> > ==> Writing GMX dihedrals for GMX 4.5 and higher.
> >
> >
> >
> > Total time of execution: 15s
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> --
> Sincerely yours,
> Dhaval Patel | PhD
> The M. S. University of Baroda, Vadodara.
> Lab: Biophysics & Structural Biology,
> Indian Institute of Advanced Research,
> Gujarat, INDIA. +91 9925450504
> pateldhaval.in.gmail.com; dhaval.iiar.res.in
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Oct 05 2018 - 12:30:02 PDT
