Dear Amber list
I am trying to do mutation in one of the residues of my receptor (I mean mutation to an amino acid other than alanine) and calculate the binding free energy for the complex of ligand-receptor, similar to the alanine scanning implemented in Amber package. I found no tutorials in this case or in amber archives. Is it possible to mutate to any amino acid and use the corresponding wild type trajectory file for calculating binding energy like the one presented in tutorial of MM-PBSA for alanine scanning.
Any help in this regard would be highly appreciated.
Cheers
Maryam
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jun 29 2013 - 08:30:02 PDT
