Hi,<div><br></div><div>since this is such a simple problem I suggest to simply write a program to do it. I suggest to start with either the xdrfile library or with the the template (available under share). My experience is writing those small things myself is much faster than searching the net and asking on the list.</div>
<div><br></div><div>Roland</div><div><br><div class="gmail_quote">On Tue, Nov 2, 2010 at 11:30 PM, <span dir="ltr"><<a href="mailto:chris.neale@utoronto.ca">chris.neale@utoronto.ca</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear users,<br>
<br>
I have 100 GB of .xtc with 3E6 total frames that that I would like to rotate by 90 deg about the z axis.<br>
<br>
For a .gro file, I could do this with editconf. trjconv does not appear to have this ability. Writing out so many frames as .gro just to rotate it with editconf and turn it back into a .xtc seems like a slow idea. trjconv -fit rotate will not work either since there is no way to predefine the angle of rotation. Does anybody have any ideas?<br>
<br>
I saw this: <a href="http://www.mail-archive.com/gmx-users@gromacs.org/msg20311.html" target="_blank">http://www.mail-archive.com/gmx-users@gromacs.org/msg20311.html</a> but no reply.<br>
<br>
Thanks,<br>
Chris.<br><font color="#888888">
<br>
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</font></blockquote></div><br><br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>
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