; When using this new tolopolgy, make sure you have included the required parameters ; (see http://swisssidechain.ch/MD/gromacs.html) [ DDZ ] ; 3,3-dihydroxy l-alanine [ atoms ] N NH1 -0.4700 0 HN H 0.3100 1 CA CT1 0.0700 2 HA HB 0.0900 3 CB CT1 0.3700 4 HB HA 0.0900 5 OG1 OH1 -0.6600 6 HG1 H 0.4300 7 OG2 OH1 -0.6600 8 HG2 H 0.4300 9 C C 0.5100 10 O O -0.5100 11 [ bonds ] N HN N CA C CA C +N CA HA CB CA O C OG1 CB OG2 CB HB CB OG1 HG1 OG2 HG2 [ impropers ] N -C CA HN C CA +N O [ cmap ] -C N CA C +N