; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ OMY ] ; (betar)-3-chloro-beta-hydroxy-l-tyrosine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 0.1400 4 HB HA 0.0900 5 OG OH1 -0.6600 6 HG H 0.4300 7 CG CA 0.0000 8 CD1 CA -0.1150 9 HD1 HP 0.1150 10 CD2 CA -0.1150 11 HD2 HP 0.1150 12 CE1 CA 0.1700 13 CL CLAL -0.1700 14 CE2 CA -0.1150 15 HE2 HP 0.1150 16 CZ CA 0.1100 17 OH OH1 -0.5400 18 HH H 0.4300 19 C C 0.5100 20 O O -0.5100 21 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C CG CB OG CB HB CB CE1 CD1 CG CD1 HD1 CD1 CE2 CD2 CG CD2 HD2 CD2 CZ CE1 CL CE1 CZ CE2 HE2 CE2 OH CZ OH HH OG HG [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N