Dear Justin, gmx users, I forgot to write, but I added these new residues to aminoacids.rtp.
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 http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field [ LYQ ] [ atoms ] N N -0.41570 1 H H 0.27190 2 CA CT -0.07206 3 HA H1 0.09940 4 CB CT -0.04845 5 HB1 HC 0.03400 6 HB2 HC 0.03400 7 CG CT 0.06612 8 HG1 HC 0.01041 9 HG2 HC 0.01041 10 CD CT -0.03768 11 HD1 HC 0.01155 12 HD2 HC 0.01155 13 CE CT 0.32604 14 HE1 HP -0.03358 15 HE2 HP -0.03358 16 NZ N -0.64977 17 HZ1 H 0.38604 18 C C 0.59730 19 O O -0.56790 20 [ bonds ] N H N CA CA HA CA CB CA C CB HB1 CB HB2 CB CG CG HG1 CG HG2 CG CD CD HD1 CD HD2 CD CE CE HE1 CE HE2 CE NZ NZ HZ1 C O -C N [ impropers ] -C CA N H CA +N C O [ GLQ ] [ atoms ] N N -0.41570 1 H H 0.27190 2 CA CT -0.02520 3 HA1 H1 0.06980 4 HA2 H1 0.06980 5 C C 0.59730 6 O O -0.56790 7 [ bonds ] N H N CA CA HA1 CA HA2 CA C C O -C N [ impropers ] -C CA N H CA +N C O -- Sincerely, Yulian Gavrilov
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