gromacs-data 4.5.5-2 / usr / share / gromacs / top / gmx.ff / 1mlg.itp

This file is indexed.

/usr/share/gromacs/top/gmx.ff/1mlg.itp is in gromacs-data 4.5.5-2.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

  1
  2
  3
  4
  5
  6
  7
  8
  9
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 21
 22
 23
 24
 25
 26
 27
 28
 29
 30
 31
 32
 33
 34
 35
 36
 37
 38
 39
 40
 41
 42
 43
 44
 45
 46
 47
 48
 49
 50
 51
 52
 53
 54
 55
 56
 57
 58
 59
 60
 61
 62
 63
 64
 65
 66
 67
 68
 69
 70
 71
 72
 73
 74
 75
 76
 77
 78
 79
 80
 81
 82
 83
 84
 85
 86
 87
 88
 89
 90
 91
 92
 93
 94
 95
 96
 97
 98
 99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
; topology for 1-lauroyl-glycerol. Peter Tieleman, April 2 1995

[ moleculetype ]
;name    nrexcl
M1G          3

[ atoms ]
;   nr    type   resnr  residu    atom    cgnr        charge    ; total charge
     1     CH2       1    M1G      C1        1     0.1500       ; 0.15
     2      OA       1    M1G      OA2       1    -0.5480       ; -0.4
     3      HO       1    M1G      HO3       1     0.3980       ; 0
     4     CH1       1    M1G      C4        2     0.1500       ; 0.15 
     5      OA       1    M1G      O1        2    -0.5480       ; -0.4
     6      HO       1    M1G      H1        2     0.3980       ; 0
     7     CH2       1    M1G      C19       3     0.1000       ; 0.1
     8      OS       1    M1G      OS2       3    -0.1800       ; -0.08
     9       C       1    M1G      C21       3     0.2700       ; 0.19
     10      O       1    M1G      O22       3    -0.1900       ; 0
     11    CP2       1    M1G      C23       4     0
     12    CP2       1    M1G      C24       5     0
     13    CP2       1    M1G      C25       6     0
     14    CP2       1    M1G      C26       7     0
     15    CP2       1    M1G      C27       8     0
     16    CP2       1    M1G      C28       9     0
     17    CP2       1    M1G      C29      10     0
     18    CP2       1    M1G      C30      11     0
     19    CP2       1    M1G      C31      12     0
     20    CP2       1    M1G      C32      13     0
     21    CP3       1    M1G      C33      14     0
 
[ bonds ]
;  ai    aj funct  
    3     2     1
    1     2     1
    1     4     1
    4     5     1
    5     6     1
    4     7     1
    7     8     1
    8     9     1
    9    10     1
    9    11     1
   11    12     1
   12    13     1
   13    14     1
   14    15     1
   15    16     1
   16    17     1
   17    18     1
   18    19     1
   19    20     1
   20    21     1

[ pairs ]
;  ai    aj funct 
    1     6     1 
    1     8     1 
    2     5     1 
    2     7     1 
    3     4     1 
    4     9     1 
    7    10     1 
    7    11     1 
    8    12     1 
    9    13     1 
    10   12     1 

[ angles ]
;  ai    aj    ak funct
    3     2     1     1	
    4     1     2     1	
    1     4     5     1	
    4     5     6     1	
    5     4     7     1 
    4     7     8     1 
    7     8     9     1 
    8     9    10     1 
    8     9    11     1 
   10     9    11     1 
    9    11    12     1 
   11    12    13     1 
   12    13    14     1	
   13    14    15     1	
   14    15    16     1	
   15    16    17     1	
   16    17    18     1	
   17    18    19     1 
   18    19    20     1 
   19    20    21     1 

[ dihedrals ]
;  ai    aj    ak    al funct
    4     1     2     3     1
    2     1     4     5     1
    2     1     4     7     1
    8     7     4     1     1
    8     7     4     5     1
    1     4     5     6     1
    7     4     5     6     1
    9     8     7     4     1
   10     9     8     7     1
   11     9     8     7     1
   12    11     9     8     1
   12    11     9    10     1
    9    11    12    13     1
   11    12    13    14     3
   12    13    14    15     3
   13    14    15    16     3
   14    15    16    17     3
   15    16    17    18     3
   16    17    18    19     3
   17    18    19    20     3
   18    19    20    21     3

[ dihedrals ]
;  ai    aj    ak    al funct
    4     1     7     5     2
    9     8    11    10     2

APT Browse - Built by Thomas Orozco.