AMBER Archive (2005)

Subject: AMBER: Manganese ion parameter

From: nadtanet (nadtanet_at_hotmail.com)
Date: Tue Oct 04 2005 - 06:55:59 CDT

Dear Amber users,

 I have manganese (Mn2+) in my protein and I try to generate the topology file. However, I can not to create topology file because Mn2+ parameter was not found. I have to create library for Mn2+ but I do not know parameter used for Mn2+. I have questions.
1. How can I create the library of Mn2+?
2. Are the parameters of Mn2+ the same as Mg2+ and Zn2+ (or not)?
3. In pdb file, which letter (Mn or MN) I must used for manganese?
4. How can I find the parameter of Mn2+ used in AMBER?

I really appreciate for all of information. Thank you very much.

Best Regards,
Nadtanet

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