25 September 2023 0 2K Report

Hi everyone, I am trying to simulate HDAC11 with prospective ligands. As it is a Zinc containing molecule I have to parameterized it with Zn. For this purpose I am trying MCPB.py. For that case I have to upload the protein file in H++ server to get .frcmod and .incprd file extensions. But the process is halted stating that atom types are not defined in pdb file. So, What should I do next ?

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