;
; 
;	 
;	 
;	 
;
;    This is my include topology file
;	 
;
; Include forcefield parameters
#include "ffyxh.itp"
#include "spc.itp"
;include new type of atoms
#include "ffyxh.atp"

[ moleculetype ]
; Name            nrexcl
DNA                 3


[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass
    1        Ab     1      DNA     Ab     1         0.683       134.1
    2        Tb     1      DNA     Tb     2        -0.683       125.1
    3        S      1      DNA     S1     3        -0.622       83.11
    4        S      1      DNA     S2     4        -0.622       83.11
    5        P      1      DNA     P1     5         1.244       94.97
    6        P      1      DNA     P2     6         1.244       94.97
    7        S      1      DNA     S3     7        -0.622        83.11
    8        S      1      DNA     S4     8        -0.622        83.11
    
    
[ bonds ]
;  ai    aj   funct        c0             c1       
   1     3     1           0.6430       374468      
   2     4     1           0.4880       502080   
   3     5     1           0.3559       376560    
   4     6     1           0.3559       376500     
   5     7     1           0.3899       418400     
   6     8     1           0.3899       418400    
   
  [ pairs ]
;  ai    aj funct               c0                  c1
   1     7    1               0.0444             4.5209e-004
   2     8    1               0.0497             5.6713e-004
    
   
   [ angles ]
;  ai    aj    ak   funct      c0         c1
   1     3     5      1      108.38      292.88 
   3     5     7      1      94.49       334.72
   2     4     6      1      112.72      284.51
   4     6     8      1      94.49       334.72
   
   [ dihedrals ]
;  ai    aj    ak    al funct          c0          c1         
   1     3     5     7    2           0.0000      -22.60  


   [ dihedrals ]
;  ai    aj    ak    al funct         c0             c1         c2
   2     4     6     8    1          180.000       -33.42       2

#include "table.xvg"
   

   
   [ system ]
; Name
DNA in water

[ molecules ]
; Compound        #mols
DNA                 1
SOL                 4