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Hi,<br>
<br>
I filed a bugzilla, so we don't forget to fix this for 4.5.2.<br>
Since Mark mentioned he has a fix, I assigned it to him.<br>
<br>
Berk<br>
<br>
On 09/21/2010 10:56 AM, Mark Abraham wrote:
<blockquote cite="mid:fbd3b9ab559df.4c98ffd3@anu.edu.au" type="cite"><br>
<br>
----- Original Message -----<br>
From: Carlo Camilloni <a class="moz-txt-link-rfc2396E" href="mailto:carlo.camilloni@gmail.com"><carlo.camilloni@gmail.com></a><br>
Date: Tuesday, September 21, 2010 18:45<br>
Subject: [gmx-developers] fatal error in g_chi<br>
To: <a class="moz-txt-link-abbreviated" href="mailto:gmx-developers@gromacs.org">gmx-developers@gromacs.org</a><br>
<br>
<span>
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<p><font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>Dear Gromacs Developers, <br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font><br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>while using the g_chi tool in gromacs 4.5.1 I got<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>this error:<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font><br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>Fatal error:<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>Library file in current dir nor not found
aminoacids.datin your GMXLIB path.<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>For more information and tips for troubleshooting,
please check the GROMACS<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>website at <a moz-do-not-send="true"
href="http://www.gromacs.org/Documentation/Errors" target="1">http://www.gromacs.org/Documentation/Errors</a><br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font><br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>other tools, I tested grompp, pdb2gmx, editconf, genbox
and g_gyrate, work fine, and my GMXLIB variable<br>
<font
style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">>
</font>points to the /wheregromacsis/share/gromacs/top dir of
gromacs.</p>
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Yes, g_chi is buggy because when GROMACS shifted to the use of
residuetypes.dat, this tool was not updated. I do have half a fix lying
around, and will see what its status is tomorrow.<br>
<br>
Mark
</blockquote>
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