; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ LMQ ] ; 3-methyl-l-glutamine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 -0.0900 4 HB HA 0.0900 5 CG2 CT3 -0.2700 6 HG23 HA 0.0900 7 HG21 HA 0.0900 8 HG22 HA 0.0900 9 CG1 CT2 -0.1800 10 HG11 HA 0.0900 11 HG12 HA 0.0900 12 CD CC 0.5500 13 OE1 O -0.5500 14 NE2 NH2 -0.6200 15 HE21 H 0.3200 16 HE22 H 0.3000 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 CG2 CB CG1 CB HB CB HG23 CG2 HG21 CG2 HG22 CG2 CG1 CD OE1 CD NE2 CD HG11 CG1 HG12 CG1 NE2 HE21 NE2 HE22 [ impropers ] N -C CA HN C CA +N O CD NE2 CG1 OE1 CD CG1 NE2 OE1 NE2 CD HE21 HE22 NE2 CD HE22 HE21 [ cmap ] -C N CA C +N