Dear AMBER developers and Users,
I have two Zinc ions bound to my protein structure in the cysteine-rich
domain with one histidine residue also involved in binding. I was preparing
the topology and coordinate files for the protein using tleap. Do I need to
do any special modification in the PDB or use any other forcefields for
zinc? I have used ff14SB and gaff2 forcefields for protein and ligands,
respectively and tip3p water model.
Thank you
--
*with regards*
*Sayan Poddar*
*PhD Research Scholar*
*Department of Biosciences and Biomedical Engineering*
*Indian Institute of Technology Indore*
*India*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Aug 05 2023 - 00:00:01 PDT
