[AMBER] carbonic anhydrase (CA) simulation

From: vhakkim boy <vhakkim.gmail.com>
Date: Thu, 16 Jul 2009 08:03:23 +0100


          I am trying to simulate the CA enzyme for that i have retain the
active site which is four coordinate Zn(HIS)3H2O (bonded approach: three
nitrogen atoms of histidine and oxygen atom of water is bonded to
zinc(II)) and i gave ff parameter for the active site through frcmod file
but i got the following message

No bond parameter for: Zn -
can't find angle parameter: NB - Zn -

i can't understand this. Can any one tell me what is the problem.
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Received on Thu Jul 16 2009 - 01:09:57 PDT
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