<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Before you go off on a total wild goose chase, I am not aware of any way in which changing the Amber .dat files would affect PDB2PQR, the input for which is a regular PDB file.<div><br></div><div>--Eric</div><div><br></div><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 16px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> Eric Pettersen</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 16px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> UCSF Computer Graphics Lab</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font-size: 16px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> <a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></div></div><div><br><div><div>On Jul 30, 2012, at 10:41 AM, Conrad Huang wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>If you plan to play with Amber stuff, you should be using our daily builds (<a href="http://www.cgl.ucsf.edu/chimera/download.html#daily">http://www.cgl.ucsf.edu/chimera/download.html#daily</a>), which has several bug fixes missing from 1.6.<br><br>In the daily builds, are in $CHIMERA/bin/amber12/dat/leap/parm. On Linux and Windows, $CHIMERA is the installation directory/folder for Chimera. On Mac, $CHIMERA is Chimera.app/Contents/Resources.<br><br>Conrad<br><br>On 7/28/12 5:37 PM, Nikolay Igorovich Rodionov wrote:<br><blockquote type="cite">Hi, since I am able to implement various force fields, does that mean<br></blockquote><blockquote type="cite">that I have the .dat files of those ff buried somewhere in my chimera<br></blockquote><blockquote type="cite">directory?<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">I want to add my custom ff parameters to PDB2PQR so I need to locate the<br></blockquote><blockquote type="cite">.dat files of force fields like Amber12 and Amber99SB.<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Thank you,<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Nikolay Rodionov<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">_______________________________________________<br></blockquote><blockquote type="cite">Chimera-users mailing list<br></blockquote><blockquote type="cite"><a href="mailto:Chimera-users@cgl.ucsf.edu">Chimera-users@cgl.ucsf.edu</a><br></blockquote><blockquote type="cite"><a href="http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users">http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users</a><br></blockquote><blockquote type="cite"><br></blockquote>_______________________________________________<br>Chimera-users mailing list<br><a href="mailto:Chimera-users@cgl.ucsf.edu">Chimera-users@cgl.ucsf.edu</a><br>http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users<br></div></blockquote></div><br></div><br><br><div>
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