AMBER Archive (2006)

Subject: AMBER: parameters for Nickel and iron

From: Rachel (comeonsos_at_googlemail.com)
Date: Mon Sep 18 2006 - 08:02:39 CDT

Dear all AMBER users,

The protein I wish to study contains nickel atom bonded with iron and CYS
residues (by S), while the iron atom is bonded with CYS (by S) and HIS (by
ND). I am trying to create the frcmod file for these non-standard metallic
ions and its bonded residues, can anyone tell me where can i find the
parameters for Fe and Ni please? Thanks a lot in advance!!

With my best regards,
Rachel

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu