<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="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 style="height: 12.75pt;" height="17">lincs-order</td>
<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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