! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DGPAR 1.00 ! 2-Amino-3-guanidinopropionic acid GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT2 0.2000 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 ATOM NG NC2 -0.70 ATOM HG HC 0.4400 ATOM CD C 0.64 ATOM NE1 NC2 -0.80 ATOM HE11 HC 0.4600 ATOM HE12 HC 0.4600 ATOM NE2 NC2 -0.80 ATOM HE22 HC 0.4600 ATOM HE21 HC 0.4600 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 CB HB1 BOND NE1 HE11 BOND HB2 CB BOND NG CB BOND HE12 NE1 BOND CD NE1 BOND CD NG BOND HG NG BOND NE2 CD BOND HE22 NE2 BOND HE21 NE2 IMPR N -C CA HN C CA +N O IMPR CD NE1 NE2 NG 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 NG 1.46 113.99 -173.95 124.37 1.48 IC N CA CB HB1 1.46 113.99 -51.93 105.65 1.09 IC N CA CB HB2 1.46 113.99 61.39 106.69 1.09 IC CA CB NG CD 1.61 124.37 178.58 123.03 1.33 IC CA CB NG HG 1.61 124.37 -1.40 118.50 1.01 IC CB NG CD NE1 1.48 123.03 -0.10 121.93 1.33 IC CB NG CD NE2 1.48 123.03 -179.98 118.06 1.33 IC NG CD NE1 HE11 1.33 121.93 0.07 120.00 1.01 IC NG CD NE1 HE12 1.33 121.93 -179.94 120.00 1.01 IC NG CD NE2 HE21 1.33 118.06 -0.07 119.99 1.01 IC NG CD NE2 HE22 1.33 118.06 179.94 119.99 1.01 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC CB N *CA HA 0.00 0.00 120 0.00 0.00 IC NG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC HB1 CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CD CB *NG HG 0.00 0.00 180.00 0.00 0.00 IC NE1 NG *CD NE2 0.00 0.00 180.00 0.00 0.00 IC HE11 CD *NE1 HE12 0.00 0.00 180.00 0.00 0.00 IC HE22 CD *NE2 HE21 0.00 0.00 180.00 0.00 0.00