; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ 2AS ] ; 3-methyl-aspartic acid [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 -0.1900 4 HB2 HA 0.0900 5 CG1 CC 0.6200 6 CG2 CT3 -0.2700 7 HG21 HA 0.0900 8 HG22 HA 0.0900 9 HG23 HA 0.0900 10 OD1 OC -0.7600 11 OD2 OC -0.7600 12 C C 0.5100 13 O O -0.5100 14 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C OD1 CG1 OD2 CG1 CB HB2 CB CG1 CG2 CB HG21 CG2 HG22 CG2 HG23 CG2 [ impropers ] N -C CA HN C CA +N O CG1 OD1 OD2 CB [ cmap ] -C N CA C +N