; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DDMK ] ; 3,3-dimethyl aspartic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT0 -0.1000 4 CG1 CC 0.6200 5 OD1 OC -0.7600 6 OD2 OC -0.7600 7 CG3 CT3 -0.2700 8 HG33 HA 0.0900 9 HG31 HA 0.0900 10 HG32 HA 0.0900 11 CG2 CT3 -0.2700 12 HG22 HA 0.0900 13 HG23 HA 0.0900 14 HG21 HA 0.0900 15 C C 0.5100 16 O O -0.5100 17 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C OD1 CG1 OD2 CG1 CG3 HG33 CG3 HG31 HG32 CG3 CB CG3 CG2 HG22 CG2 CB CG1 CB HG23 CG2 HG21 CG2 [ impropers ] N -C CA HN C CA +N O CG1 CB OD1 OD2 [ cmap ] -C N CA C +N