; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ 0BN ] ; 4-carbamimidoyl-l-phenylalanine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT2 -0.1800 4 HB1 HA 0.0900 5 HB2 HA 0.0900 6 CG CA 0.0000 7 CD1 CA -0.1150 8 HD1 HP 0.1150 9 CD2 CA -0.1150 10 HD2 HP 0.1150 11 CE1 CA -0.1150 12 HE1 HP 0.1150 13 CE2 CA -0.1150 14 HE2 HP 0.1150 15 CZ CA -0.0300 16 CH C 0.7300 17 NJ1 NCN -0.7500 18 HJ11 HNCN 0.4500 19 HJ12 HNCN 0.4500 20 NJ2 NCN -0.7500 21 HJ22 HNCN 0.4500 22 HJ21 HNCN 0.4500 23 C C 0.5100 24 O O -0.5100 25 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CB HB1 CB HB2 CD1 HD1 CG CB CG CD1 CE1 CD1 CD2 CG CE1 HE1 CZ CE1 HD2 CD2 CE2 CD2 NJ1 HJ11 CE2 CZ CH CZ HE2 CE2 CH NJ1 HJ12 NJ1 NJ2 CH HJ22 NJ2 HJ21 NJ2 [ impropers ] N -C CA HN C CA +N O CH NJ1 NJ2 CZ NJ1 HJ11 HJ12 CH NJ2 HJ21 HJ22 CH [ cmap ] -C N CA C +N