Xi Zhao,<br><br>Find some elementary text on PCA and read it thoroughly.<br><br>Tsjerk<br><br><div class="gmail_quote">On Wed, Jan 20, 2010 at 2:40 PM, xi zhao <span dir="ltr"><<a href="mailto:zhaoxiitc2002@yahoo.com.cn">zhaoxiitc2002@yahoo.com.cn</a>></span> wrote:<br>
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<div><br>Dear users: </div>
<div>I want to analyse a crystal structure by PCA, and want to show its 2D projection, but I meet errors" segment fault" <br>my procedure: </div>
<div>g_covar_d -f crystal strucutre.pdb -s crystal strucutre.pdb -o eig.xvg -v eig.trr</div>
<div>g_anaeig_d -f crystal strucutre.pdb -eig eig.xvg -v eig.trr -2d 2d.xvg -first 1 -last 2 </div>
<div>but produce errors.</div>
<div>Please help me! </div>
<div>thank you! <br><a href="http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844" rel="nofollow" target="_blank"><img src="" alt="4" border="0"></a></div>
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<br>Computational Chemist<br>Medicinal Chemist<br>Neuropharmacologist<br><br>