File: last10.dat.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (12 lines) | stat: -rw-r--r-- 972 bytes parent folder | download 
1
2
3
4
5
6
7
8
9
10
11
12
 
#Atom Name  #Res Name  #Mol Type   Charge     Mass GBradius El     rVDW     eVDW
  213 HZ1     12 LYS      1 H      0.3400   1.0080   1.2000  H   0.6000   0.0157
  214 HZ2     12 LYS      1 H      0.3400   1.0080   1.2000  H   0.6000   0.0157
  215 HZ3     12 LYS      1 H      0.3400   1.0080   1.2000  H   0.6000   0.0157
  216 C       12 LYS      1 C      0.7341  12.0100   1.7000  C   1.9080   0.0860
  217 O       12 LYS      1 O     -0.5894  16.0000   1.5000  O   1.6612   0.2100
  218 N       13 NME      1 N     -0.4157  14.0100   1.5500  N   1.8240   0.1700
  219 H       13 NME      1 H      0.2719   1.0080   1.2000  H   0.6000   0.0157
  220 CH3     13 NME      1 CT    -0.1490  12.0100   1.7000  C   1.9080   0.1094
  221 HH31    13 NME      1 H1     0.0976   1.0080   1.2000  H   1.3870   0.0157
  222 HH32    13 NME      1 H1     0.0976   1.0080   1.2000  H   1.3870   0.0157
  223 HH33    13 NME      1 H1     0.0976   1.0080   1.2000  H   1.3870   0.0157