Dear Amber User,
To simulate HCA II by AMBER 9 I have
created a activesite model constituted of three histidines, one water,
and one zinc. I have used literature for bond , angle and torsional
parameters. But, to get charges of all atoms I used quantum mechanical
software TURBOMOLE. I have got charges of all atoms. But, now problem
is , I am not getting any way to include these charges of activesite
atoms in AMBER. So, what can I do? Please help.
Thanking You
Sanjib
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Received on Wed Aug 01 2012 - 00:00:02 PDT
