<html><body bgcolor="#FFFFFF"><div>No.<br><br>On Jul 6, 2009, at 20:58, Chih-Ying Lin <<a href="mailto:chihying2008@gmail.com">chihying2008@gmail.com</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div><br><br>Hi <br>In the .mdp file, i set lincs-warnangle = 30.<br>Will the dihedral angles be affected? <br>Will the maximum, possible values of the dihedral angles be reduced because of the setup of the bond constraints?<br>
<br>Thank you<br>Lin <br><br><br><br><br>
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<td style="height: 12.75pt; width: 48pt;" width="64" height="17">;</td>
<td style="width: 48pt;" width="64">OPTIONS</td>
<td style="width: 48pt;" width="64">FOR</td>
<td style="width: 48pt;" width="64">BONDS</td>
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<td style="height: 12.75pt;" height="17">constraints</td>
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<td>all-bonds</td>
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<td style="height: 12.75pt;" height="17">constraint-algorithm</td>
<td>=</td>
<td>Lincs</td>
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<td style="height: 12.75pt;" height="17">unconstrained-start</td>
<td>=</td>
<td>yes</td>
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<td>=</td>
<td align="right">4</td>
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<td style="height: 12.75pt;" height="17">lincs-iter</td>
<td>=</td>
<td align="right">1</td>
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<td style="height: 12.75pt;" height="17">lincs-warnangle</td>
<td>=</td>
<td align="right">30</td>
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</div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org"><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></a></span><br><span><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!</span><br><span>Please don't post (un)subscribe requests to the list. Use the </span><br><span>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</span><br><span>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php"><a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></a></span></div></blockquote></body></html>