Hi,<br>This is a continuation of a post by Vanitha:<br><a href="http://starship.python.net/pipermail/mmtk/2006/001103.html">http://starship.python.net/pipermail/mmtk/2006/001103.html</a><br>Where Konrad suggested the use of vector fields to generate the position of all atoms from the Calpha normal modes.
<br>Before trying that I experimented a little with AtomicVectorField and the Calpha model for which I have calculated the modes. I expected these two setConfiguration to correspond do the same but they don't:<br><br>
origin = uni.copyConfiguration()<br>field = AtomicVectorField(uni, 0.1, mode)<br>uni.setConfiguration(origin+field.particleValues()*delta/mode.frequency)<br>uni.setConfiguration(origin+mode*i*delta/mode.frequency)<br><br>
(mode is a normal mode)<br><br>So how can I get the same desplacements that originate from the mode using the AtomicVectorField? (then I'll be able to apply it to the all atom model)<br>Thanks!<br>Ramon<br><br>