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<p class="p1"><span class="s1">Hello there,</span></p>
<p class="p2"><span class="s1"></span><br>
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<p class="p1"><span class="s1">I study water/ice systems and I have an algorithm which reads my trajectories and tell me if a certain water molecule can be considered “liquid”, “hexagonal ice” or “cubic ice”. So I can label each molecule at each frame as such.
I am hoping to be able to use this data to create a movie where each group is coloured differently, and should a molecule change groups be re-coloured accordingly.</span></p>
<p class="p2"><span class="s1"></span><br>
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<p class="p1"><span class="s1">I attempted this by running a PER-FRAME script which reads my labels from a data file, and colours the molecules. However I ran into a problem, running either of the following commands:</span></p>
<p class="p2"><span class="s1"></span><br>
</p>
<p class="p1"><span class="s1">colour blue,a :52</span></p>
<p class="p1"><span class="s1">select :52</span></p>
<p class="p2"><span class="s1"></span><br>
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<p class="p1"><span class="s1">in the PER-FRAME script, or even just on the command line during an MD Movie does NOT work for me. This works for a single configuration file, but not during a movie. The command:</span></p>
<p class="p1"><span class="s1"><br>
</span></p>
<p class="p1"><span class="s1">color blue,a @OW</span></p>
<p class="p2"><span class="s1"></span><br>
</p>
<p class="p2">however does work. I am currently using XTC trajectories, in case that is relevant. </p>
<p class="p2"><br>
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<p class="p1"><span class="s1">What might fix my problem? Or is there a better way I could be doing this?</span></p>
<p class="p1"><span class="s1">Cheers,</span></p>
<p class="p1"><span class="s1">Thomas</span></p>
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