Dear Amber Community,
I’m wondering how to use MCPB to parameterize Ru(bpy)2(4-BrCH2-4’-CH3-bpy), where the Br is replaced by the S of a Cys sidechain?
Do I split the Cys residue, giving the sidechain to the Ru ligand and the backbone a new residue type?
I’d greatly appreciate any details of how to proceed.
Best,
Matthew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Dec 25 2021 - 21:30:02 PST
