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<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>http://lists.gromacs.org/pipermail/gmx-users/2010-August/053255.html<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Catch ya,<br>
<br>
Dr. Dallas Warren<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Medicinal Chemistry and Drug Action<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'>Monash Institute of Pharmaceutical Sciences</span><span
style='font-size:10.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>,
Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
dallas.warren@monash.edu<br>
---------------------------------<br>
When the only tool you own is a hammer, every problem begins to resemble a
nail.</span><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'> <o:p></o:p></span></p>
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<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span
style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>
gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] <b>On
Behalf Of </b>Jianhui Tian<br>
<b>Sent:</b> Thursday, 26 August 2010 2:26 AM<br>
<b>To:</b> gmx-users@gromacs.org<br>
<b>Subject:</b> [gmx-users] dihedral function type 9 in rtp file<o:p></o:p></span></p>
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<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Hi,<br>
<br>
In the rtp file of Gromacs version 4.5-beta3, the dihedral function type for
proper dihedrals is 9. However, I can't find any documentation about the
function form of this function type. <br>
Also, you can add multiple dihedral potentials for one dihedral term explicitly
in the rtp file. <br>
The term is:</span><o:p></o:p></p>
<pre><span style='font-family:"Arial","sans-serif"'>[ dihedrals ] ; optional<br>
<br>
<o:p></o:p></span></pre><pre><span style='font-family:"Arial","sans-serif"'>;atom1 atom2 atom3 atom4 phi0 cp mult<br>
<br>
What is the function form here?<br>
<br>
Thanks.<br>
<br>
</span><span style='font-size:13.5pt;font-family:"Arial","sans-serif"'>Jianhui</span><br>
<br>
<o:p></o:p></pre>
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<br>
<o:p></o:p></p>
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