AMBER Archive (2006)

Subject: AMBER: Combine amber-force field and gaff94 for one molecule?

From: Michel Becker (michelbeacker_at_web.de)
Date: Sun Nov 05 2006 - 11:45:05 CST

Dear AMBER users

I would like to perform a MD with a covalently bound DNA-drug complex. amber 7 and 8 is available.

For the DNA I will use the AMBER force field but I would like to employ simultaneously the gaff force field for the drug.

Therefore, one bond, four angles and a few dihedral angles at the connection between both residues will exhibit amber atom types as well as gaff atom types.

Does any complications result from that circumstance?

 

Best regards

Michel Beacker?

        
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