[AMBER] Is it possible to simulate transmembrane protein with GB model ?

From: cgji <cgji.itcc.nju.edu.cn>
Date: Tue, 3 Nov 2009 04:52:44 +0800

Dear Amber users,

    GB parameters used in the software were calibrated according to the water solvents. They may not be suitable for the simulation of membrane environment .
    Any suggestions on changing the parameters are greatly appreciated.
    
    And only part of the protein was solvated in membrane. Is there a way to solvate the protein into two different implicit solvents (for example water and membrane) ?


   Many thanks for your help in advance.



Best Regards,

Chicago Ji






   
   
     
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Received on Mon Nov 02 2009 - 13:00:03 PST
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