[AMBER] Can I calculate the interaction energy between two connected domains of a protein?

From: Catein Catherine <askamber23.hotmail.com>
Date: Mon, 19 Jul 2010 15:40:54 +0800

Dear Sir/Madam,


I am trying to calculate the interaction energy between domain 1 and 2 of a protein. Since domain 1 and 2 are connected, i cannot define a separated prmtop file for each domain. I guess I cannot use MMPBSA/GBSA methods to get this interaction energy. Are there any other methods I can use to estimate the binding energy between domains?


Best regards,


Cat with thanks.
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Received on Mon Jul 19 2010 - 01:00:03 PDT
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