On Thu, Jul 06, 2023, 吕思凡 via AMBER wrote:
>
>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.
Note that many phosphorylated amino acid units are already available: See
section 3.7 in the Reference Manual: "Modified amino acids and nucleotides".
Even if what you want isn't present, you could see how the phosphates were
added, and work by analogy to your situation.
....dac
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Received on Fri Jul 07 2023 - 09:00:04 PDT
