Conversion of 'cosine/periodic' bond angles in lammps input files is not supported

shirtsgroup / InterMol

Conversion tool for molecular simulations

MIT License

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Conversion of 'cosine/periodic' bond angles in lammps input files is not supported #398

Open Darker1095 opened 8 months ago

Darker1095 commented 8 months ago

I want to convert the input file of lammps based on UFF4MOF into the form of gromacs, but it prompts KeyError: 'cosine/periodic'. This may be because gromacs does not support such a function form? I'm not sure. If it is determined that it is not supported, can it be approximated?