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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Received on Fri Oct 05 2018 - 11:30:03 PDT
