<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">clean-way: not yet possible. dirty option: you can place as many restraints in your molecular geometry as you like and use stiff force constants for the restraints.<div><br><div>Teo</div><div><br><div><div>On Sep 4, 2012, at 7:54 AM, Edward Pyzer-Knapp wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi,<br>I am interested in performing rigid body minimisations (ie just optimising cell without altering the molecular geometries) on crystal structures. I have read elsewhere in this group that this was not possible in cp2k, but this was in 2008. Has this now been implemented? If so, how do I go about calling this?<br><br>Ed<br><div><br class="webkit-block-placeholder"></div> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msg/cp2k/-/_SrExEZtol0J">https://groups.google.com/d/msg/cp2k/-/_SrExEZtol0J</a>.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>.<br> To unsubscribe from this group, send email to <a href="mailto:cp2k+uns...@googlegroups.com">cp2k+uns...@googlegroups.com</a>.<br> For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en">http://groups.google.com/group/cp2k?hl=en</a>.<br> </blockquote></div><br></div></div></body></html>