shirtsgroup / InterMol

Conversion tool for molecular simulations
MIT License
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Converting Gromacs to LAMMPS: Unbound local error 'x_min' referenced before assignment #394

Open Bellsthescientist opened 1 year ago

Bellsthescientist commented 1 year ago

Hi I am trying to convert some files to gromacs. I have attached my .gro file and the .top file as text files that I have constructed.

When I run intermol I am faced with this error. I am not sure if it is on my end or if there is something wrong with my input gromacs files. Intermol manages to create a .lmp file but it says 0 atoms 0 bonds 0 angles 0 dihedrals 0 impropers 0 atom types.

dotgrofile.txt

topology.txt

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