; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DONL ] ; 5-oxo-l-norleucine [ 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 CT2 -0.1200 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 CD CC 0.4500 10 OD O -0.5700 11 CE CT3 -0.2100 12 HE1 HA 0.0900 13 HE2 HA 0.0900 14 HE3 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 CG CB HB1 CB HB2 CB CG CD CE CD OD CD HE1 CE HE2 CE HE3 CE HG1 CG HG2 CG [ impropers ] N -C CA HN C CA +N O CD CG CE OD [ cmap ] -C N CA C +N