Hi,<br><br>For a H-NL-CH1-CH2 (H1-N-CA-C) dihedral angle in a N-terminal MET, why would pdb2gmx automatically assign gd_29 ?<br><br>In /gromos53a6.ff/ffbonded.itp, it appears:<br><br>
<p class="MsoPlainText"><span style="font-family:"Courier New"">#define
gd_29<span style="mso-spacerun:yes"> </span>0.000<span style="mso-spacerun:yes"> </span>3.77<span style="mso-spacerun:yes"> </span>3<br>
; -C,CHn,SI-<span style="mso-tab-count:1"> </span>0.9<br>
;<br>
</span></p>
...<br>
<p class="MsoPlainText"><span style="font-family:"Courier New"">#define
gd_41<span style="mso-spacerun:yes"> </span>0.000<span style="mso-spacerun:yes"> </span>3.77<span style="mso-spacerun:yes"> </span>6<br>
; -CHn-NT-<span style="mso-tab-count:1"> </span>0.9<br>
;<br>
</span></p>
...<br><br>Thanks,<br><br>Yun Shi<br>