gene.itp

; Q Prop.
#define Q_MASS      09.0
#define Q_CHARGE    0.0
#define C12_Q_Q     0.00           
#define C6_Q_Q      0.00
#define C12_Q_Qa    0.00            
#define C6_Q_Qa     0.00
#define C12_Q_C1    0.00           
#define C6_Q_C1     0.00
;________________________________
; Dummy Prop.
#define DW_MASS     09.0
#define DX_MASS     09.0
#define DY_MASS     09.0
#define DZ_MASS     09.0
#define DW_CHARGE   0.00
#define DX_CHARGE   0.00
#define DY_CHARGE   0.00
#define DZ_CHARGE   0.00
#define D_Q_LENGTH  0.160886
#define D_D_LENGTH  0.263 
#define D_Q_Kb      1.25E+4
#define D_D_Kb      1.25E+4
; D-D Intra.
#define D_C12       0.00    
#define D_C6        0.00  
; D-D Inter.
#define C12_D_D     1.50378e-08 
#define C6_D_D      0.00173423 
; D-Qsi Inter.
#define C12_D_Q     0           
#define C6_D_Q      0  
;________________________________
; Virtual Site Prop.
#define VW_CHARGE   0.00
#define VX_CHARGE   0.00
#define VY_CHARGE   0.00
#define VZ_CHARGE   0.00
#define VW_LENGTH   0.321772
#define VX_LENGTH   0.321772
#define VY_LENGTH   0.321772
#define VZ_LENGTH   0.321772
#define VS_ANG      0
#define VS_C12      0.00
#define VS_C6       0.00
; VS-D Inter.
#define C12_VS_D    0 
#define C6_VS_D     0 
#define VS_D_REP    0.24E-5
;________________________________
; WATER Prop.
#define C12_VS_WAT  0.00
#define C6_VS_WAT   0.00     
#define C12_D_WAT   0.00
#define C6_D_WAT    0.00
;________________________________