[gmx-users] Minimisation restraints

[Thomas Evangelidis]

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 <carlajamous at gmail.com> 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    gmx-users at 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-request at gromacs.org.
> 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: tevang at bioacademy.gr

          tevang3 at gmail.com


website: https://sites.google.com/site/thomasevangelidishomepage/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110224/014e3ea9/attachment.html>