Hi!<br>
I am just a beginner in ED analysis, I haven't found any tutorial, but I can suggest some very good papers:<br>
<br>
- Hess, B., Similarities between principal components of protein
dynamics and random diffusion, <span style="font-style: italic;">Physical Review E</span> 62(6):8438-8448 (2000)<br>
- Hess, B., Convergence of sampling in protein simulations, <span style="font-style: italic;">Physical Review E</span> 65:031910 (2002)<br>
- Kazmierkiewicz, R., et al., Essential dynamics/factor analysis for
the interpretation of molecular dynamics trajectories, <span style="font-style: italic;">Journal of Computer-Aided Molecular Design</span> 13:21-33 (1999).<br>
- Arcangeli, C., et al., Molecular dynamics simulation and essential
dynamics study of mutated plastocyanin: structural, dynamical and
functional effects of a disulfide bridge insertion at the protein
surface, Biophysical Chemistry 92:183-199 (2001).<br>
<br>
I hope this helps, <br>
<br>
Magiofer<br>
<br><br><div><span class="gmail_quote">On 10/19/05, <b class="gmail_sendername">Prof. Y. U. Sasidhar</b> <<a href="mailto:sasidhar@chem.iitb.ac.in">sasidhar@chem.iitb.ac.in</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
hi,<br>we are interested in performing principal component and essential<br>dynamics analysis of our trajectories. Is there a tutorial/ primer<br>which will help us get started ? We have no previous experience<br>with this kind of analysis. Any suggestion about reading material is
<br>also welcome.<br>--<br> Sasidhar<br><br><br><br><br><br><br><br><br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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