Hi,
I’m trying to build a complex contain metal MG, ligand, a phosphorylated amino acid. The phosphorylated amino acid require binding to MG.
but I don’t know how to deal with the phosphorylated amino acid from this tutorial MCPB.py(
https://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.php).
I need to prepare mol2 file and frcmod file for the phosphorylated amino acid, and to set the MCPB.in file such tutorial 1OKL.in.
Please help me to solve this problem.
Best,
Sifan lyu
AlloStar Platform, Nutshell Therapeutics
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Received on Thu Jul 06 2023 - 03:00:02 PDT