Hi Gmxers, I am wondering if NMA has been introduced into QMMM part of gromacs. I am trying to get vibrational frequencies of proteins by normal mode analysis (NMA) in the framework of QMMM.
Thanks, Yao -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
