Dear gromacs 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
