VMD-L Mailing List

From: Hideyuki Miyatake (miyatake_at_riken.jp)
Date: Sat Dec 04 2021 - 04:25:59 CST

Hello,

I’m trying to incorporate L-DOPA in my protein.

First, I mutated a TYR to L-DOPA and generated DAH.str by CGenFF for QwikMD run.

However, it stopped with comments like

“FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR CT2 C NG3P3 (ATOMS 22 25 27)”

Or something like that. I cannot fix the missing information.

Please someone tell me what the best way to solve this kind of problem, e.g. incorporation of
non-natural amino acids in proteins.

Thank you.

             Miyatake