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Article ID: 624 - Last Modified:

I launched a calculation using ConfGen and found this error in the log file:

WARNING : MMCT ERROR(-4): mmct_atom_get_bond_atom(): 49 is an invalid bond index for atom 241 in CT 1274. Max is 16
FATAL mmconf_cgen_copy_params(): the ct has too many atoms: 435 limit is 200.
FATAL mmconf_cgen_ct_and_params(): problem with mmconf_cgen_copy_params.

How can I resolve this?

ConfGen is intended for ligand-like small molecules. There is an atom limit of 200 atoms. If you want to generate conformations for larger molecules, you could try MacroModel.

Keywords: FATAL mmconf_cgen_copy_params, MMCT ERROR, ct has too many atoms, ConfGen

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