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<DIV><FONT face=Arial size=2>Dear All,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I have done 2ns MD with gmx_FF and was trying to
calculate the radius of gyration of the entire protein by: g_gyrate -s 2ns.tpr
-f 2ns.trr -o 2ns.xvg</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>The program stopped at 560ps with the "fatal error:
Can not determine precision of trn file, quit!"</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Does any one please have any idear what really
happend here??? what's the trn file?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>nancy</DIV>
<DIV><BR></DIV></FONT>
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style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=nsmaan@hotmail.com href="mailto:nsmaan@hotmail.com">narender maan</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=gmx-users@gromacs.org
href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Thursday, March 24, 2005 10:54
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [gmx-users] g_anaeig</DIV>
<DIV><BR></DIV>
<DIV>
<DIV class=RTE>Dear gmx-users</DIV>
<DIV class=RTE>I am doing ED of my simulation and while using g_anaeig
the file (eigrmsf.xvg) i am getting for rmsf (by using -rmsf option) is for
all the atoms in the protein. So i was wondering if there's anyway to
calculate averages for each residue in eigrmsf.xvg instead of atoms (like
the way it is in g_rmsf by using the option of -res) </DIV>
<DIV class=RTE>thank you</DIV>
<DIV class=RTE>NSM</DIV></DIV>
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