<div dir="ltr">Dear Conrad,<div><br></div><div>Thanks for the suggestion.</div><div><br></div><div>Regards, Wei<br><br>On Friday, February 10, 2017 at 2:37:57 AM UTC-5, Conrad wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Wei,<div><br></div><div>One option is to use Plumed, if you've compiled CP2K with support for it.</div><div><br></div><div>Please see the documentation for the collective variable, "CELL":</div><div><a href="http://plumed.github.io/doc-master/user-doc/html/_c_e_l_l.html" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fplumed.github.io%2Fdoc-master%2Fuser-doc%2Fhtml%2F_c_e_l_l.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHGHC1De5ob-4R3VgGFs6qZfrkvcA';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fplumed.github.io%2Fdoc-master%2Fuser-doc%2Fhtml%2F_c_e_l_l.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHGHC1De5ob-4R3VgGFs6qZfrkvcA';return true;">http://plumed.github.io/doc-<wbr>master/user-doc/html/_c_e_l_l.<wbr>html</a></div><div><br></div><div>Best wishes,<br>Conrad</div></div></blockquote></div></div>