Dear AMBER users,
I have been studying the association between a protein and an electrode by
MD simulation. In particular I am interested in the relative orientation in
respect to the surface.
I only have the PM-IRRAS spectrum of the complex.
I am wondering if someone knows a method or a software that simulate the
PM-IRRAS spectrum or the infrared spectrum of a protein.
Thank you in advance,
Francesco
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Feb 24 2013 - 13:00:02 PST
