AMBER Archive (2003)

Subject: AMBER: Heme and Zn parameters

From: Vema Aparna (vema_aparna_at_yahoo.co.uk)
Date: Sun Dec 14 2003 - 08:04:43 CST

Dear Amber Users
 
Can anyone suggest me where can i get amber parameters for
1) Heme parameters where heme is co-ordinated to cysteine
2) Zn metal co-ordinated to S-atoms of 4cysteine residues
I found the paramters of Heme coordinated to N-atom of Histidine from the Amber parameters database but I doubt whether these parmaters can be used in my case. Also I got Zn parmeters bonded to 4 imidazole N-atoms.
Can i use these parameters and continue my studies or is it worthwhile to do abinitio calculations to get the appropriate.
 
Sincerely,
Aparna

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Aparna Vema, Research Scholar
Prof. G.R. Desiraju's Group, School of Chemistry,
University of Hyderabad, Hyderabad-500 046
INDIA
email:vema_aparna_at_yahoo.co.uk
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

---------------------------------
   BT Yahoo! Broadband - Save £80 when you order online today. Hurry! Offer ends 21st December 2003. The way the internet was meant to be.

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