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IndexError: list index out of range #397

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ghost opened this issue Oct 17, 2023 · 2 comments
Open

IndexError: list index out of range #397

ghost opened this issue Oct 17, 2023 · 2 comments

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@ghost
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ghost commented Oct 17, 2023 •
edited by ghost

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@ghost ghost changed the title AttributeError: 'LammpsParser' object has no attribute 'nb_types' IndexError: list index out of range Oct 17, 2023
@mattwthompson
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Could you also post the files you used to generate this error? My guess without looking at the code is that dihedral_style opls is not implemented

@ctk3b
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ctk3b commented Oct 17, 2023 •
edited

I believe opls is actually implemented:

InterMol/intermol/lammps/lammps_parser.py

Line 175 in 8d77a4f

elif dihedral == FourierDihedral:

Hard to tell without the input file but the error suggests that the dihedral coefficients are insufficiently or incorrectly specified or that InterMol does not have support for the format in which you specified them.

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@ctk3b @mattwthompson