Hello, I am new to the gromacs work flow, I come from using NAMD.
An example of what I want to do is place harmonic restraints on a subset of a molecule, for example all of the CA atoms in a protein backbone. I have found the genrestr function which I would have expected would do the trick. However, as stated in the documentation the indexes won't reflect those within the molecule. I'm wondering if there is a simple way to do what I want using the gromacs work flow that doesn't include manually editing the itp files. Best, Miro. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
