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
> _______________________________________________
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> 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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Received on Fri Oct 05 2018 - 12:00:02 PDT
