<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:14pt"><div>Dear Gromacs users,</div><div><br></div><div>I defined tree beads for aniline consists of SC4, SC4 and SNd as following:</div><div><br></div><div><span style="background-color: rgb(191, 191, 0);">[moleculetype]</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);">; molname nrexcl</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> DRG 1</span><br style="background-color: rgb(191, 191, 0);"><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);">[atoms]</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);">; id type resnr
residu atom cgnr charge</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 1 SNd 1 DRG NH2 1 0</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 2 SC4 1 DRG SI2 2 0 </span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 3 SC4 1 DRG SI3 3 0 </span><br style="background-color: rgb(191, 191, 0);"><span
style="background-color: rgb(191, 191, 0);">[constraints]</span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);">; i j funct length </span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 1 2 1 0.27 </span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 2 3 1 0.27 </span><br style="background-color: rgb(191, 191, 0);"><span style="background-color: rgb(191, 191, 0);"> 1 3 1 0.27</span>
<br></div><div><br></div><div>May I ask you to say me is it right?</div><div><br></div><div>Best Regards</div><div>Sara</div></div></body></html>