constraints freeze_grps virtual_sites Cheers,
Tsjerk On Jul 9, 2013 10:36 PM, "Nash, Anthony" <anthony.n...@warwick.ac.uk> wrote: Hi all, I would imagine this has been covered before, yet I don't think I have unearthed the right search inquiry yet. I want to make a dihedral angle along the length of a helical protein using the vectors (A, B, C), (B, C, D), where B is a C-alpha on the helix backbone, and A , C and D are fake atoms. I need the fake atom A to be covalently bound/attached to C-alpha atom B, maintaining the constant angle A-B-C. I then need to keep a totally frozen position of fake atoms C and D, which are covalently bound in the order B-C-D. All fake atoms must not interact with any atoms at all. I don't want someone to tell me how to do it, I would just rather someone told me a key word/link/section in the gromacs manual. Many thanks Anthony -- 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 -- 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
