UCL-CCS / TIES

Topology Superimposition based on joint graph traversal
MIT License
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Antechamber bug: space in .mol2 converted into an atom #245

Closed bieniekmateusz closed 2 years ago

bieniekmateusz commented 3 years ago

When converting a .mol2 into another .mol2 file with antechamber, space before BONDS is converted into another atom. I send an email to the amber team. In the meantime I will copy the .mol2 file if it is already in that format as a workaround.