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<DIV><SPAN class=154333815-29092006><FONT face=Arial color=#0000ff size=2>I
submitted this as a bug a few days ago...</FONT></SPAN></DIV>
<DIV><SPAN class=154333815-29092006><FONT face=Arial color=#0000ff
size=2></FONT></SPAN> </DIV>
<DIV><SPAN class=154333815-29092006><FONT face=Arial color=#0000ff size=2>bug
107</FONT></SPAN></DIV>
<DIV><SPAN class=154333815-29092006><FONT face=Arial color=#0000ff size=2><A
href="http://bugzilla.gromacs.org/show_bug.cgi?id=107">http://bugzilla.gromacs.org/show_bug.cgi?id=107</A></FONT></SPAN></DIV><!-- Converted from text/rtf format -->
<P><SPAN lang=en-us><FONT face=Arial color=#000000 size=2>Thanks,</FONT></SPAN>
<BR><SPAN lang=en-us><FONT face="Brush Script MT" color=#0000ff
size=6>Jonathan</FONT></SPAN> </P>
<P><SPAN lang=en-us><FONT face=Arial color=#ff0000
size=2>____________________________</FONT></SPAN> <BR><SPAN lang=en-us><B><FONT
face="Comic Sans MS" color=#808080 size=2>Jonathan Moore,
Ph.D.</FONT></B></SPAN> <BR><SPAN lang=en-us><FONT face=Arial color=#808080
size=1>Research and Engineering Sciences - New Products</FONT></SPAN> <BR><SPAN
lang=en-us><FONT face=Arial color=#808080 size=1>Core R&D</FONT></SPAN>
<BR><SPAN lang=en-us><FONT face=Arial color=#808080 size=1>The Dow Chemical
Company</FONT></SPAN> <BR><SPAN lang=en-us><FONT face=Arial color=#808080
size=1>1702 Building, Office 300E</FONT></SPAN> <BR><SPAN lang=en-us><FONT
face=Arial color=#808080 size=1>Midland, MI 48674 USA</FONT></SPAN>
<BR><SPAN lang=en-us><FONT face=Arial color=#808080 size=1>Phone: (989)
636-9765 </FONT></SPAN><BR><SPAN lang=en-us><FONT face=Arial color=#808080
size=1>Fax: (989) 636-4019</FONT></SPAN> <BR><SPAN lang=en-us><FONT face=Arial
color=#808080 size=1>E Mail: jmoore2@dow.com</FONT></SPAN> </P>
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<DIV class=OutlookMessageHeader lang=en-us dir=ltr align=left><FONT
face=Tahoma size=2>-----Original Message-----<BR><B>From:</B>
gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] <B>On
Behalf Of </B>Jon Ellis<BR><B>Sent:</B> Friday, September 29, 2006 10:29
AM<BR><B>To:</B> gmx-users@gromacs.org<BR><B>Subject:</B> [gmx-users] g_traj
-ng not working with option -ng <BR><BR></FONT></DIV>
<DIV>Hello GMXers</DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>I am trying to extract coordinates for a number of different groups over
a trajectory using g_traj. </DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>When I run g_traj with the -ng 16 option, I can only specify a single
group. I've tried for fewer or more groups, with no success, and I've tested
to see if it would ask for the next group when it was finished, but it
didn't.</DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>It works fine when I use -com, but I need the full coordinates, not just
Centres of Mass. I could specify each single atom as a group, but that would
further increase the number of groups, and the post-processing, so I'm
wondering if there's a solution? </DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>I'm running v3.3, but I've tried it with 3.31 as well. </DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>Any hints?</DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV>Cheers</DIV>
<DIV>Jon Ellis </DIV>
<DIV><BR class=khtml-block-placeholder></DIV>
<DIV><BR class=khtml-block-placeholder></DIV><BR>
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<DIV style="MARGIN: 0px">----------------------------------------</DIV>
<DIV style="MARGIN: 0px">Jon Ellis </DIV>
<DIV style="MARGIN: 0px">PhD Candidate, Thompson Group</DIV>
<DIV style="MARGIN: 0px">Institute of Biomaterials and Biomedical
Engineering/Dept of Chemistry</DIV>
<DIV style="MARGIN: 0px">University of Toronto</DIV>
<DIV style="MARGIN: 0px">Lash Miller 147</DIV>
<DIV style="MARGIN: 0px">(416) 978-6568</DIV>
<DIV style="MARGIN: 0px"><A
href="mailto:jon.ellis@utoronto.ca">jon.ellis@utoronto.ca</A></DIV>
<DIV style="MARGIN: 0px">----------------------------------------</DIV>
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