Hi
George
my suggestion is that u first visualized your structure in vmd
lable the residue in structure which you want to analyse for H-bonding
then the donar and acceptor would be clear and you can specify correct name
in script
Hope this will help you
good luck
RAMESHWAR PRAJAPATI
NIPER (Mohali)
INDIA
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Received on Sun Sep 19 2010 - 00:30:03 PDT