; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ HGA ] ; glutamine hydroxamate [ 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 HG2 HA 0.0900 8 HG1 HA 0.0900 9 CD CC 0.5700 10 OE1 O -0.5700 11 NE2 NH1 -0.4000 12 HE H 0.3700 13 OZ OH1 -0.4300 14 HZ H 0.4000 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 OE1 CD NE2 CD HG2 CG HG1 CG NE2 HE OZ HZ OZ NE2 [ impropers ] N -C CA HN C CA +N O CD CG OE1 NE2 NE2 CD HE OZ [ cmap ] -C N CA C +N