AMBER Archive (2009)

Subject: [AMBER] How to create parameter file for unknown residue

From: nicholus bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Fri Apr 03 2009 - 05:33:03 CDT

Dear community members,

                                       As you may noticed in the tutorial
named "Loop dynamics of the HIV-I integrase core domain" provided with the
manual a addition parameter file named MG.off for MG residue. Otherwise leap
dose not recognize MG. Can someone help me out with creating parameter files
for unknown residue like ZN, Fe etc. etc. Without these parameter files leap
does not recognize the unknown residues and does not create the topology and
co-ordinate files. Please help me out.

Thank you in advance. 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber