; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ SYM ] ; 2s,4r-4-methylglutamate [ 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 HB2 HA 0.0900 5 HB1 HA 0.0900 6 CG CT1 -0.1900 7 HG HA 0.0900 8 CD1 CC 0.6200 9 OE1 OC -0.7600 10 OE2 OC -0.7600 11 CD2 CT3 -0.2700 12 HD21 HA 0.0900 13 HD22 HA 0.0900 14 HD23 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 OE1 CD1 OE2 CD1 CG HG CG CD1 CD2 HD21 CD2 CG CB CG HD22 CD2 HD23 CD2 HB2 CB HB1 CB [ impropers ] N -C CA HN C CA +N O CD1 CG OE1 OE2 [ cmap ] -C N CA C +N