Hello!
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!
Best regards,
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Jiawen Cui
(+86)17621824824
Shanghai Institution of Organic Chemistry, Chinese Academy of Science
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Received on Mon Sep 02 2019 - 21:30:02 PDT
