Hi All, I am trying to run simulations of a small protein with the backbone frozen, but not the side chains. It looks like neither position restraint run or defining freeze_group will work since these options will freeze atoms in space. I also noticed that I may define [dihedral_restraints] and [distance_restraints], but I couldn't find something like [angle_restraints]. This approach sounds quite tedious as well.
What is the best way to freeze the secondary structure (a-helix in my case) during simulations? Thanks. Seunghwan Lee -- 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
