Hi Bob, <br><br>Try trjconv -fit translation (v. >3.2)<br><br>It won't be the same as removing COM motion during an md run as that is meant to compensate possible accumulation of velocity in one direction. If you're suffering from that, the only possibility is to run again.
<br><br>Cheers,<br><br>Tsjerk<br><br><div><span class="gmail_quote">On 12/3/05, <b class="gmail_sendername">David Mobley</b> <<a href="mailto:dmobley@gmail.com">dmobley@gmail.com</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;">
I'm not too sure, but it might be possible to do it with mdrun -rerun.<br><span class="sg">
<br>
David Mobley</span><div><span class="e" id="q_107f2bd0140a2f42_2"><br><br><div><span class="gmail_quote">On 12/3/05, <b class="gmail_sendername">Bob Johnson</b> <<a href="mailto:robertjo@physics.upenn.edu" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
robertjo@physics.upenn.edu</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;">
Hello everyone,<br>Is there anyway to remove the COM translation for a trajectory that has already<br>been generated? I couldn't find this feature is trjconv. Is COM translation<br>removal only possible in mdrun?<br>Thanks,
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