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
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Aparna Vema, Research Scholar
Prof. G.R. Desiraju's Group, School of Chemistry,
University of Hyderabad, Hyderabad-500 046
INDIA
email:vema_aparna.yahoo.co.uk
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Received on Wed Jan 14 2004 - 15:53:09 PST
