Hi all! I am trying to set up hemoglobin simulations using GROMOS96 53a6 force field. pdb2gmx runs without errors, however, topology file does not have the His-Fe bond type, etc.
Does someone have detailed step-by-step instructions of how to prepare oxy- and deoxy-Hb for gromacs simulations? Thanks, Natalia Khuri -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
