; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ MEQ ] ; n5-methylglutamine [ 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 CT2 -0.1200 7 HG1 HA 0.0900 8 HG2 HA 0.0900 9 CD CC 0.5700 10 OE1 O -0.5700 11 NE2 NH1 -0.7300 12 HE2 H 0.3700 13 CZ CT3 0.0300 14 HZ1 HA 0.0900 15 HZ2 HA 0.0900 16 HZ3 HA 0.0900 17 C C 0.5100 18 O O -0.5100 19 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C HB2 CB HB1 CB CG CB CG CD OE1 CD NE2 CD NE2 CZ HZ1 CZ HZ2 CZ HZ3 CZ HG1 CG HG2 CG NE2 HE2 [ impropers ] N -C CA HN C CA +N O CD CG NE2 OE1 NE2 CD CZ HE2 [ cmap ] -C N CA C +N