Consider using the latest from
https://github.com/alanwilter/acpype
Python 3 only now.
And I'd willing to know if this bug is still there.
Many thanks for using ACPYPE.
Alan
On Fri, 5 Oct 2018 at 20:16, Antonio Amber Carlesso <
antonio.amber.carlesso.gmail.com> wrote:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
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>
--
*I** have just cycled* from Land's End to John O'Groats (the
whole Britain!)
for a charity, would you consider supporting my cause?
http://uk.virginmoneygiving.com/AlanSilva
--
Alan Wilter SOUSA da SILVA, DSc
Senior Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588
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Received on Fri Oct 05 2018 - 13:30:03 PDT
