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On 22/11/2011 7:27 PM, Alex Jemulin wrote:
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cite="mid:1321950452.50154.YahooMailNeo@web132418.mail.ird.yahoo.com"
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<div style="RIGHT: auto">Dear all</div>
<div style="RIGHT: auto">I need to export all MD trajectory's
data to a matrix.</div>
<div style="RIGHT: auto">As column header I'd like to put each
atom indentified by residue name and progressive number</div>
<div style="RIGHT: auto">e.g. LYS-N1</div>
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That will be your job to parse the .gro file suitably and write a
header.<br>
<br>
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<div style="RIGHT: auto">In the rows I'd like to put z
coordinate changing in time.</div>
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g_traj -xvg none is the place to start.<br>
<br>
Mark<br>
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