share/top/vdwradii.dat

   1 ; Very approximate VanderWaals radii
   2 ; only used for drawing atoms as balls or for calculating atomic overlap.
   3 ; longest matches are used
   4 ; '???' or '*' matches any residue name
   5 ; 'AAA' matches any protein residue name
   6 ???  C     0.15
   7 ???  F     0.12
   8 ???  H     0.04
   9 ???  N     0.110
  10 ???  O     0.105
  11 ???  S     0.16
  12 ; Water charge sites
  13 SOL  MW    0
  14 SOL  LP    0
  15 ; Masses for vsite construction
  16 GLY  MN1   0
  17 GLY  MN2   0
  18 ALA  MCB1  0
  19 ALA  MCB2  0
  20 VAL  MCG1  0
  21 VAL  MCG2  0
  22 ILE  MCG1  0
  23 ILE  MCG2  0
  24 ILE  MCD1  0
  25 ILE  MCD2  0
  26 LEU  MCD1  0
  27 LEU  MCD2  0
  28 MET  MCE1  0
  29 MET  MCE2  0
  30 TRP  MTRP1 0
  31 TRP  MTRP2 0
  32 THR  MCG1  0
  33 THR  MCG2  0
  34 LYSH MNZ1  0
  35 LYSH MNZ2  0