Have a look at side-chain optimization programs like SCWRL4 ( http://dunbrack.fccc.edu/scwrl4/index.php). If this is what you are looking for then running SCRWL4 will be much easier than setting up your one restraints in GROMACS.
Thomas On 24 February 2011 12:31, Carla Jamous <[email protected]> wrote: > Hi everyone, > > please I don't have access to the mailing list, (there must be a problem in > the archive) and I need to know if there's a way of doing energy > minimisation with restraints on the backbone. In other words, I want to > minimize the sidechaines in my protein without moving (or minimizing) the > backbone. Please has anyone done this before? > > Thank you. > > Carla > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ====================================================================== Thomas Evangelidis PhD student Biomedical Research Foundation, Academy of Athens 4 Soranou Ephessiou , 115 27 Athens, Greece email: [email protected] [email protected] website: https://sites.google.com/site/thomasevangelidishomepage/
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