Ni hao,<br><br>Since it's a projection, there is not (in general) a single conformation for each point in the 2D plane. On the other hand, the points you obtained are derived from distinct (ordered) conformations, so it is trivial to retrieve them. Each conformation (time) yields one point: find the time for which the point corresponds with the one your interested in, and extract the conformation from the trajectory.<br>
<br>Cheers,<br><br>Tsjerk<br><br><div class="gmail_quote">2009/12/20 xi zhao <span dir="ltr"><<a href="mailto:zhaoxiitc2002@yahoo.com.cn">zhaoxiitc2002@yahoo.com.cn</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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Dear users for gromacs:<br>We know that observing the sampled conformations in the subspace spanned<br>by the eigenvectors is a so-called two-dimensional projection(2D<br>projection), in 2-D projection, each point represents a snapshot from<br>
the simulation, and the distribution shows the sampled region along the<br>first two eigenvectors during the simulation. But I feel confounded,<br>because I do not know to how to obtain corresponding conformation for<br>each point in the 2-D projection.Please help me!<br>
best regards!<br>thank you!<br><br><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></td>
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