<div dir="ltr">Dear Justin, gmx users,<br><br>
<style type="text/css">p { margin-bottom: 0.08in; }a:link { }</style>
<p style="margin-bottom: 0in;">I forgot to write, but I added these new
residues to aminoacids.rtp.
</p>
<p style="margin-bottom: 0in;">Maybe I need to add them also to
aminoacids.r2b? How to do it correctly? Just new lines in it or add them to lines of Gly and Lys? So, I suppose it is all steps in
<a href="http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field" target="_blank">http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field</a></p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">[ LYQ ]
</p>
<p style="margin-bottom: 0in;"> [ atoms ]
</p>
<p style="margin-bottom: 0in;"> N N -0.41570 1
</p>
<p style="margin-bottom: 0in;"> H H 0.27190 2
</p>
<p style="margin-bottom: 0in;"> CA CT -0.07206 3
</p>
<p style="margin-bottom: 0in;"> HA H1 0.09940 4
</p>
<p style="margin-bottom: 0in;"> CB CT -0.04845 5
</p>
<p style="margin-bottom: 0in;"> HB1 HC 0.03400 6
</p>
<p style="margin-bottom: 0in;"> HB2 HC 0.03400 7
</p>
<p style="margin-bottom: 0in;"> CG CT 0.06612 8
</p>
<p style="margin-bottom: 0in;"> HG1 HC 0.01041 9
</p>
<p style="margin-bottom: 0in;"> HG2 HC 0.01041 10
</p>
<p style="margin-bottom: 0in;"> CD CT -0.03768 11
</p>
<p style="margin-bottom: 0in;"> HD1 HC 0.01155 12
</p>
<p style="margin-bottom: 0in;"> HD2 HC 0.01155 13
</p>
<p style="margin-bottom: 0in;"> CE CT 0.32604 14
</p>
<p style="margin-bottom: 0in;"> HE1 HP -0.03358 15
</p>
<p style="margin-bottom: 0in;"> HE2 HP -0.03358 16
</p>
<p style="margin-bottom: 0in;"> NZ N -0.64977 17
</p>
<p style="margin-bottom: 0in;"> HZ1 H 0.38604 18
</p>
<p style="margin-bottom: 0in;"> C C 0.59730 19
</p>
<p style="margin-bottom: 0in;"> O O -0.56790 20
</p>
<p style="margin-bottom: 0in;"> [ bonds ]
</p>
<p style="margin-bottom: 0in;"> N H
</p>
<p style="margin-bottom: 0in;"> N CA
</p>
<p style="margin-bottom: 0in;"> CA HA
</p>
<p style="margin-bottom: 0in;"> CA CB
</p>
<p style="margin-bottom: 0in;"> CA C
</p>
<p style="margin-bottom: 0in;"> CB HB1
</p>
<p style="margin-bottom: 0in;"> CB HB2
</p>
<p style="margin-bottom: 0in;"> CB CG
</p>
<p style="margin-bottom: 0in;"> CG HG1
</p>
<p style="margin-bottom: 0in;"> CG HG2
</p>
<p style="margin-bottom: 0in;"> CG CD
</p>
<p style="margin-bottom: 0in;"> CD HD1
</p>
<p style="margin-bottom: 0in;"> CD HD2
</p>
<p style="margin-bottom: 0in;"> CD CE
</p>
<p style="margin-bottom: 0in;"> CE HE1
</p>
<p style="margin-bottom: 0in;"> CE HE2
</p>
<p style="margin-bottom: 0in;"> CE NZ
</p>
<p style="margin-bottom: 0in;"> NZ HZ1
</p>
<p style="margin-bottom: 0in;"> C O
</p>
<p style="margin-bottom: 0in;"> -C N
</p>
<p style="margin-bottom: 0in;"> [ impropers ]
</p>
<p style="margin-bottom: 0in;"> -C CA N H
</p>
<p style="margin-bottom: 0in;"> CA +N C O</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;"><br>
</p>
<p style="margin-bottom: 0in;">[ GLQ ]
</p>
<p style="margin-bottom: 0in;"> [ atoms ]
</p>
<p style="margin-bottom: 0in;"> N N -0.41570 1
</p>
<p style="margin-bottom: 0in;"> H H 0.27190 2
</p>
<p style="margin-bottom: 0in;"> CA CT -0.02520 3
</p>
<p style="margin-bottom: 0in;"> HA1 H1 0.06980 4
</p>
<p style="margin-bottom: 0in;"> HA2 H1 0.06980 5
</p>
<p style="margin-bottom: 0in;"> C C 0.59730 6
</p>
<p style="margin-bottom: 0in;"> O O -0.56790 7
</p>
<p style="margin-bottom: 0in;"> [ bonds ]
</p>
<p style="margin-bottom: 0in;"> N H
</p>
<p style="margin-bottom: 0in;"> N CA
</p>
<p style="margin-bottom: 0in;"> CA HA1
</p>
<p style="margin-bottom: 0in;"> CA HA2
</p>
<p style="margin-bottom: 0in;"> CA C
</p>
<p style="margin-bottom: 0in;"> C O
</p>
<p style="margin-bottom: 0in;"> -C N
</p>
<p style="margin-bottom: 0in;"> [ impropers ]
</p>
<p style="margin-bottom: 0in;"> -C CA N H
</p>
<p style="margin-bottom: 0in;"> CA +N C O</p>
<br>-- <br><div dir="ltr"><p style="margin-bottom: 0in;">Sincerely,</p>
<p style="margin-bottom: 0in;">Yulian Gavrilov
</p></div><br>
</div>