[AMBER] Help generating Heme parameters

From:  <junaid.hust.edu.cn>
Date: Wed, 19 Nov 2014 15:20:29 +0800 (GMT+08:00)

Dear Amber Users

I wan t to simulate the complex that contain Heme group using Amber14. We have got some problem in generating Heme parameters. The contributing parameters for Heme is for the Heme group attached to Histidine . But in our case the Heme is attached to Cysteine. We tried the MCPB function in Amber14 but the tutorial is not suitable for Heme, because in Heme the metal is not surrounded by amino acid residues.
So i have attached the pdb file for Heme and associated to Cysteine. Could someone generate parameters or give some instructions on how to do it.
Any help will be highly appreciated!!!

Junaid


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue Nov 18 2014 - 23:30:02 PST
Custom Search