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Thanks for all your help and rapid response.<br>
<br>
Arik<br>
<br>
Justin A. Lemkul wrote:
<blockquote cite="mid:4ACBB8B6.70501@vt.edu" type="cite"><br>
<br>
Arik Cohen wrote:
<br>
<blockquote type="cite">Dear users,
<br>
<br>
Is there a way(in the mdp file) to take a snapshot of only the C-alpha
atoms along a trajectory if certain condition are met(tested every time
a snapshot needs to be taken) ?
<br>
<br>
</blockquote>
<br>
No, but you could probably script it after the trajectory is run, using
whatever analysis tool is appropriate to evaluate your condition, then
trjconv to dump out the appropriate frame.
<br>
<br>
-Justin
<br>
<br>
<blockquote type="cite">Thanks
<br>
<br>
Arik
<br>
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</blockquote>
<br>
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</blockquote>
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