AMBER Archive (2008)

Subject: AMBER: alascan MUTANT_KEEP error

From: Larry Layne (llayne_at_andrew.cmu.edu)
Date: Tue Dec 16 2008 - 13:07:51 CST

I am attempting to perform an alanine scan with a protein-protein interaction and I am getting an error that I don't understand. The error reported is "Something wrong with MUTANT_KEEP definitions". I have attached the log file. The residues to be mutated are DSLL, and that is the order they are drawn up in the input file. I looked in the archive for possible solutions, but the only possibility I saw was the need for topology files for each mutant. Is that necessary? And if so, where do I input the location of the mutant topology files in my input, since I don't see anything about this in the manual?

Also, in mutating the serine residue, there is not CG atom, so should I assume that I should put the OG atom for the MUTANT_ATOM1 variable?

Thanks for your time,
Larry

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