Have a look at side-chain optimization programs like SCWRL4 (<a href="http://dunbrack.fccc.edu/scwrl4/index.php">http://dunbrack.fccc.edu/scwrl4/index.php</a>). If this is what you are looking for then running SCRWL4 will be much easier than setting up your one restraints in GROMACS.<br>
<br>Thomas<br><br><div class="gmail_quote">On 24 February 2011 12:31, Carla Jamous <span dir="ltr"><<a href="mailto:carlajamous@gmail.com">carlajamous@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi everyone,<br><br>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?<br>
<br>Thank you.<br><font color="#888888"><br>Carla<br>
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<p style="margin-bottom: 0cm;" align="LEFT">======================================================================</p>
<p style="margin-bottom: 0cm;" align="LEFT">Thomas Evangelidis</p>
<p style="margin-bottom: 0cm;" align="LEFT">PhD student</p>
<p style="margin-bottom: 0cm;" align="LEFT">Biomedical Research
Foundation, Academy of Athens</p>
<p style="margin-bottom: 0cm;" align="LEFT">4 Soranou Ephessiou , 115 27
Athens, Greece<br><br>email: <a href="mailto:tevang@bioacademy.gr" target="_blank">tevang@bioacademy.gr</a></p>
<p style="margin-bottom: 0cm;" align="LEFT"> <a href="mailto:tevang3@gmail.com" target="_blank">tevang3@gmail.com</a></p>
<p style="margin-bottom: 0cm;" align="LEFT"><br>website:
<a href="https://sites.google.com/site/thomasevangelidishomepage/" target="_blank">https://sites.google.com/site/thomasevangelidishomepage/</a></p>
<p style="margin-bottom: 0cm;" align="LEFT"><br>
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