Hello amber users,
I used *Antechamber* to create a ligand template for my cyclic peptide
ligand and converted it to a format suitable for Desmond using
*viparr-convert-amber*. I then processed my protein-ligand complex using
this template along with *amber19sb*. However, I keep encountering the
following error:
schrodinger.infra.structure.PyStructureReaderException: Could not extract
mmct handle (File: desmond_setup_AgrC_AIPI_TIP3P-out_viparr.cms):
FATAL: * MCT FATAL(-5): mmct_ct_mi2io_get_atom():
CT 0: Error getting data for atom: '1'
Does anyone know how to solve this?
Many thanks,
Zeyu
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Received on Fri Dec 06 2024 - 07:30:02 PST
