! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DGBTT 1.00 ! Guanidinobutryric 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 -0.1800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CT2 0.2000 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM ND NC2 -0.70 ATOM HD HC 0.4400 ATOM CE C 0.64 ATOM NZ2 NC2 -0.80 ATOM HZ22 HC 0.4600 ATOM HZ21 HC 0.4600 ATOM NZ1 NC2 -0.80 ATOM HZ12 HC 0.4600 ATOM HZ11 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 HB2 CB BOND CG CB BOND CG HG1 BOND ND HD BOND ND CG BOND HG2 CG BOND CE ND BOND NZ2 HZ22 BOND NZ2 CE BOND NZ1 CE BOND HZ21 NZ2 BOND NZ1 HZ12 BOND HZ11 NZ1 IMPR N -C CA HN C CA +N O IMPR CE ND NZ1 NZ2 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 CG ND CE NZ1 1.48 123.01 -0.09 122.00 1.33 IC CG ND CE NZ2 1.48 123.01 -179.97 118.01 1.33 IC ND CG CB HB1 1.48 120.12 60.76 107.58 1.09 IC ND CG CB HB2 1.48 120.12 -55.83 108.15 1.09 IC ND CE NZ1 HZ11 1.33 122.00 -179.94 119.98 1.01 IC ND CE NZ1 HZ12 1.33 122.00 0.08 120.01 1.01 IC ND CE NZ2 HZ21 1.33 118.01 179.95 119.98 1.01 IC ND CE NZ2 HZ22 1.33 118.01 -0.06 119.98 1.01 IC CE ND CG HG1 1.33 123.01 -54.40 106.75 1.09 IC CE ND CG HG2 1.33 123.01 60.81 107.55 1.09 IC NZ1 CE ND HD 1.33 122.00 179.90 118.50 1.01 IC ND CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC HG1 CB *CG HG2 0.00 0.00 -120.00 0.00 0.00 IC CE CG *ND HD 0.00 0.00 180.00 0.00 0.00 IC NZ2 ND *CE NZ1 0.00 0.00 180.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC HB1 CG *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC N CB *CA HA 0.00 0.00 120 0.00 0.00 IC HZ12 CE *NZ1 HZ11 0.00 0.00 180.00 0.00 0.00 IC HZ22 CE *NZ2 HZ21 0.00 0.00 180.00 0.00 0.00