;
;	File 'MeCO_Met_NHMe.top' was generated
;	By user: moosie (4073)
;	On host: localhost
;	At date: Sat May 18 22:20:57 2002
;
;	This is your topology file
;	"A Man Needs a Maid" (N. Young)
;
; Include forcefield parameters
#include "ffgmx.itp"

[ moleculetype ]
; Name  nrexcl
MeCO_Met_NHMe	3

 [ atoms ]
;   nr  type    resnr   residu  atom    cgnr    charge	mass
     1     N      1       MMET    N       0    -0.280     
     2     H      1       MMET    H       0     0.280     
     3     C      1       MMET   C1       1     0.380
     4     O      1       MMET   O1       1    -0.380 
     5   CH3      1       MMET   CF       2     0.000   
     6     C      1       MMET    C       3     0.380     
     7     O      1       MMET    O       3    -0.380     
     8     N      1       MMET   N1       4    -0.280     
     9     H      1       MMET   H1       4     0.280     
    10   CH3      1       MMET   CH       5     0.000    
    11   CH1      1       MMET   CA       6     0.000     
    12   CH2      1       MMET   CB       7     0.000     
    13   CH2      1       MMET   CG       8     0.000     
    14     S      1       MMET   SD       9     1.000    
    15   CH3      1       MMET   CE      10     0.000     
    16   CH3      1       MMET   CZ      10     0.000     
 
 [ bonds ]
 ;  ai     aj   funct           b0           kb
     1     2      1
     1     3      1
     1    11      1
     3     4      1
     3     5      1
     6     7      1
     6     8      1
     6    11      1
     8     9      1            
     8    10      1            
    11    12      1            
    12    13      1
    13    14      1
    14    15      1
    14    16      1

[ angles ]
;  ai    aj    ak       funct   theta	     kt
    2    1     3         1
    2    1    11         1
    3    1    11         1
    1    3     4         1
    1    3     5         1
    4    3     5         1
    7    6     8         1
    7    6    11         1
    8    6    11         1
    6    8     9         1
    6    8    10         1
    9    8    10         1
    1   11     6         1
    1   11    12         1
    6   11    12         1
   11   12    13         1
   12   13    14         1
   13   14    15         1
   13   14    16         1
      
 [ dihedrals ]
;  ai    aj    ak    al         func      phi0      cp   mult  -proper dihedrals-
    2     1     3     4          1
    2     1     3     5          1
    4     1     3    11          1
    2     1    11     6          1
    2     1    11    12          1
    3     1    11     6          1
    3     1    11    12          1
    7     6     8     9          1
    7     6     8    10          1
   11     6     8     9          1
   11     6     8    10          1
    7     6    11     1          1
    7     6    11    12          1
    8     6    11     1          1
    8     6    11    12          1
    1    11    12    13          1
    6    11    12    13          1
   11    12    13    14          1
   12    13    14    15          1
   12    13    14    16          1

    
 [ dihedrals ]
 ;  ai    aj    ak    al  funct     q0         cq   -improper dihedrals-
     1     3    11     2    2
     3     1     5     4    2
     6     7     8    11    2
     8     6    10     9    2
    11     1     6    12    2   ; for retaining chirality
    


[ system ]
my testsystem

[ molecules ]
MeCO_Met_NHMe	1