(unknown charset) [AMBER] Generating parameters for iron-sulfur protein
I'm performing a molecular dynamics simulation of iron-sulfur protein and having problems generating parameter documents using MCPB.py. I read your tutorial on Internet.
When I prepare the PDB and mol2 files for the non-standard residues, I found it's difficult to generate files for sulfur in iron-sulfur cluster. Could you please tell me how should I treat this kind of nonmetallic ions? The attachment is my PDB file.
Thanks for your time and consideration. I am looking forward to hearing from you!
Shanghai Institution of Organic Chemistry, Chinese Academy of Science
AMBER mailing list
Received on Mon Sep 02 2019 - 21:30:02 PDT