! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DALO 0.00 ! Allo-threonine GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT1 0.1400 ATOM HB HA 0.0900 ATOM OG1 OH1 -0.6600 ATOM HG1 H 0.4300 GROUP ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 GROUP ATOM C C 0.5100 ATOM O O -0.5100 BOND CB CA N HN N CA C CA C +N CA HA DOUBLE O C BOND CG2 CB BOND HB CB BOND OG1 CB BOND HG21 CG2 BOND HG22 CG2 BOND HG23 CG2 BOND OG1 HG1 IMPR N -C CA HN C CA +N O CMAP -C N CA C N CA C +N IC -C CA *N HN 1.3551 126.4900 180.0000 115.4200 0.9996 IC -C N CA C 1.3551 126.4900 180.0000 114.4400 1.5390 IC N CA C +N 1.4592 114.4400 180.0000 116.8400 1.3558 IC +N CA *C O 1.3558 116.8400 180.0000 122.5200 1.2297 IC CA C +N +CA 1.5390 116.8400 180.0000 126.7700 1.4613 IC N C *CA CB 1.4592 114.4400 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC N CA CB CG2 1.46 110.57 179.59 116.33 1.54 IC N CA CB OG1 1.46 110.57 57.40 104.47 1.42 IC N CA CB HB 1.46 110.57 -58.20 108.36 1.11 IC CA CB CG2 HG21 1.57 116.33 178.75 112.12 1.11 IC CA CB CG2 HG22 1.57 116.33 -62.33 112.51 1.11 IC CA CB CG2 HG23 1.57 116.33 58.29 111.79 1.11 IC CA CB OG1 HG1 1.57 104.47 -58.64 106.14 0.96 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC OG1 CA *CB CG2 0.00 0.00 120.00 0.00 0.00 IC CG2 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC HG21 CB *CG2 HG22 0.00 0.00 120.00 0.00 0.00 IC HG21 CB *CG2 HG23 0.00 0.00 -120.00 0.00 0.00