* Toppar stream file generated by
* CHARMM General Force Field (CGenFF) program version 0.9.7.1 beta
* For use with CGenFF version 2b8
*

read rtf card append
* Topologies generated by
* CHARMM General Force Field (CGenFF) program version 0.9.7.1 beta
*
36 1

! "penalty" is the highest penalty score of the associated parameters.
! Penalties lower than 10 indicate the analogy is fair; penalties between 10
! and 50 mean some basic validation is recommended; penalties higher than
! 50 indicate poor analogy and mandate extensive validation/optimization.

RESI UNK          0.000 ! param penalty= 329.200 ; charge penalty= 276.714
GROUP            ! CHARGE   CH_PENALTY
ATOM NA1    NG3C51 -0.561 !  209.893
ATOM CA2    CG251O  0.059 !  276.714
ATOM CA3    CG3C50  0.280 !  193.072
ATOM CA4    CG2R51 -0.383 !   56.836
ATOM CA9    CG2R51 -0.024 !   43.750
ATOM CMA    CG331  -0.270 !   46.350
ATOM CC1    CG321  -0.187 !   47.418
ATOM CC2    CG321  -0.176 !    3.749
ATOM CC3    CG331  -0.271 !    0.120
ATOM CX1    CG2D2  -0.480 !  202.400
ATOM H11    HGP1    0.277 !    4.072
ATOM H12    HGR51   0.205 !   30.445
ATOM H13    HGR52   0.171 !    2.584
ATOM HMA1   HGA3    0.090 !    3.614
ATOM HMA2   HGA3    0.090 !    3.614
ATOM HMA3   HGA3    0.090 !    3.614
ATOM HC1A   HGA2    0.090 !    3.614
ATOM HC1B   HGA2    0.090 !    3.614
ATOM HC2A   HGA2    0.090 !    0.075
ATOM HC2B   HGA2    0.090 !    0.075
ATOM HC3A   HGA3    0.090 !    0.000
ATOM HC3B   HGA3    0.090 !    0.000
ATOM H23    HGA3    0.090 !    0.000
ATOM H24    HGA5    0.230 !    4.392
ATOM HX1    HGA5    0.230 !    4.392

BOND NA1  CA2 
BOND NA1  CA9 
BOND NA1  H11 
BOND CA2  CA3 
BOND CA2  CX1 
BOND CA3  CA4 
BOND CA3  CMA 
BOND CA3  CC1 
BOND CA4  CA9 
BOND CA4  H12 
BOND CA9  H13 
BOND CMA  HMA1
BOND CMA  HMA2
BOND CMA  HMA3
BOND CC1  CC2 
BOND CC1  HC1A
BOND CC1  HC1B
BOND CC2  CC3 
BOND CC2  HC2A
BOND CC2  HC2B
BOND CC3  HC3A
BOND CC3  HC3B
BOND CC3  H23 
BOND CX1  H24 
BOND CX1  HX1 

END

read param card flex append
* Parameters generated by analogy by
* CHARMM General Force Field (CGenFF) program version 0.9.7.1 beta
*

! Penalties lower than 10 indicate the analogy is fair; penalties between 10
! and 50 mean some basic validation is recommended; penalties higher than
! 50 indicate poor analogy and mandate extensive validation/optimization.

BONDS
CG251O CG2D2   570.00     1.3400 ! New , from CG251O CG2DC3, penalty= 210
CG251O CG3C50  300.00     1.5300 ! New , from CG2R53 CG3C52, penalty= 74
CG251O NG3C51  380.00     1.4000 ! New , from CG2R53 NG3C51, penalty= 64
CG2R51 CG3C50  350.00     1.5100 ! New , from CG2R51 CG3C52, penalty= 10
CG321  CG3C50  222.50     1.5280 ! New , from CG321 CG3C51, penalty= 6
CG331  CG3C50  222.50     1.5280 ! New , from CG331 CG3C51, penalty= 6

ANGLES
CG2D2  CG251O CG3C50   40.00    130.00 ! New , from CG2DC3 CG251O NG2R53, penalty= 268
CG2D2  CG251O NG3C51   40.00    130.00 ! New , from CG2DC3 CG251O NG2R53, penalty= 264.5
CG3C50 CG251O NG3C51  120.00    105.50 ! New , from CG3C52 CG2R53 NG2R53, penalty= 329.2
CG251O CG2D2  HGA5     45.00    120.50 ! New , from CG2D1 CG2D2 HGA5, penalty= 23
CG2R51 CG2R51 CG3C50  115.00    109.00 ! New , from CG2R51 CG2R51 CG3C52, penalty= 1.2
CG3C50 CG2R51 HGR51    29.00    124.60 ! New , from CG3C52 CG2R51 HGR51, penalty= 1.2
CG321  CG321  CG3C50   53.35    111.00    8.00   2.56100 ! New , from CG321 CG321 CG3RC1, penalty= 1.5
CG3C50 CG321  HGA2     34.60    110.10   22.53   2.17900 ! New , from CG3C51 CG321 HGA2, penalty= 0.8
CG3C50 CG331  HGA3     34.60    110.10   22.53   2.17900 ! New , from CG3C51 CG331 HGA3, penalty= 0.8
CG251O CG3C50 CG2R51   76.00    107.60 ! New , from CG2R51 CG3C52 CG2R51, penalty= 14
CG251O CG3C50 CG321    62.00    103.00 ! New , from CG2R51 CG3C54 NG3P2, penalty= 63.5
CG251O CG3C50 CG331    62.00    103.00 ! New , from CG2R51 CG3C54 NG3P2, penalty= 63.5
CG2R51 CG3C50 CG321    62.00    103.00 ! New , from CG2R51 CG3C54 NG3P2, penalty= 59.5
CG2R51 CG3C50 CG331    62.00    103.00 ! New , from CG2R51 CG3C54 NG3P2, penalty= 59.5
CG321  CG3C50 CG331    58.35    113.50   11.16   2.56100 ! New , from CG321 CG3RC1 CG331, penalty= 22
CG251O NG3C51 CG2R51   45.00    104.80 ! New , from CG2R51 NG3C51 CG3C52, penalty= 75
CG251O NG3C51 HGP1     43.00    115.60 ! New , from CG2R53 NG3C51 HGP1, penalty= 3.5

DIHEDRALS
CG3C50 CG251O CG2D2  HGA5       5.2000  2   180.00 ! New , from CG321 CG2D1 CG2D2 HGA5, penalty= 295
NG3C51 CG251O CG2D2  HGA5       4.6000  2   180.00 ! New , from NG2R53 CG251O CG2DC3 HGA5, penalty= 294
CG2D2  CG251O CG3C50 CG2R51     2.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 146.5
CG2D2  CG251O CG3C50 CG321      0.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG3C52, penalty= 177.5
CG2D2  CG251O CG3C50 CG331      0.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG3C52, penalty= 177.5
NG3C51 CG251O CG3C50 CG2R51     2.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 175.5
NG3C51 CG251O CG3C50 CG321      1.0500  3   180.00 ! New , from NG2R53 CG2R53 CG3C52 CG3C52, penalty= 189
NG3C51 CG251O CG3C50 CG331      1.0500  3   180.00 ! New , from NG2R53 CG2R53 CG3C52 CG3C52, penalty= 189
CG2D2  CG251O NG3C51 CG2R51     8.0000  2   180.00 ! New , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 210.5
CG2D2  CG251O NG3C51 HGP1       0.0000  3     0.00 ! New , from CG2R51 CG2R51 NG3C51 HGP1, penalty= 136.5
CG3C50 CG251O NG3C51 CG2R51     4.0000  2   180.00 ! New , from NG2R50 CG2R53 NG3C51 CG3C52, penalty= 232.5
CG3C50 CG251O NG3C51 HGP1       1.2000  3     0.00 ! New , from NG2R50 CG2R53 NG3C51 HGP1, penalty= 158.5
CG3C50 CG2R51 CG2R51 NG3C51    11.0000  2   180.00 ! New , from CG3C52 CG2R51 CG2R51 NG3C51, penalty= 1.2
CG3C50 CG2R51 CG2R51 HGR52      5.8000  2   180.00 ! New , from CG3C52 CG2R51 CG2R51 HGR52, penalty= 1.2
CG2R51 CG2R51 CG3C50 CG251O     2.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 14
CG2R51 CG2R51 CG3C50 CG321      0.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG3C52, penalty= 41
CG2R51 CG2R51 CG3C50 CG331      0.0500  3   180.00 ! New , from CG2R51 CG2R51 CG3C52 CG3C52, penalty= 41
HGR51  CG2R51 CG3C50 CG251O     2.0500  3     0.00 ! New , from HGR51 CG2R51 CG3C52 CG2R51, penalty= 14
HGR51  CG2R51 CG3C50 CG321      2.0000  2   180.00 ! New , from HGR51 CG2R51 CG3C52 CG3C52, penalty= 41
HGR51  CG2R51 CG3C50 CG331      2.0000  2   180.00 ! New , from HGR51 CG2R51 CG3C52 CG3C52, penalty= 41
CG2R51 CG2R51 NG3C51 CG251O     8.0000  2   180.00 ! New , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 75
HGR52  CG2R51 NG3C51 CG251O     3.0000  2   180.00 ! New , from HGR52 CG2R51 NG3C51 CG3C52, penalty= 75
CG331  CG321  CG321  CG3C50     0.1500  3     0.00 ! New , from CG321 CG321 CG321 CG3RC1, penalty= 2.4
CG3C50 CG321  CG321  HGA2       0.1950  3     0.00 ! New , from CG3RC1 CG321 CG321 HGA2, penalty= 1.5
CG321  CG321  CG3C50 CG251O     0.5000  4   180.00 ! New , from CG321 CG311 CG3C51 CG3C52, penalty= 85
CG321  CG321  CG3C50 CG2R51     0.5000  4   180.00 ! New , from CG321 CG311 CG3C51 CG3C52, penalty= 84
CG321  CG321  CG3C50 CG331      0.2000  3     0.00 ! New , from CG321 CG321 CG3RC1 CG331, penalty= 22
HGA2   CG321  CG3C50 CG251O     0.1600  3     0.00 ! New , from HGA2 CG321 CG3C51 CG3C52, penalty= 81
HGA2   CG321  CG3C50 CG2R51     0.1600  3     0.00 ! New , from HGA2 CG321 CG3C51 CG3C52, penalty= 80
HGA2   CG321  CG3C50 CG331      0.1900  3     0.00 ! New , from HGA2 CG321 CG3RC1 CG331, penalty= 22
HGA3   CG331  CG3C50 CG251O     0.1600  3     0.00 ! New , from HGA3 CG331 CG3C51 CG3C52, penalty= 81
HGA3   CG331  CG3C50 CG2R51     0.1600  3     0.00 ! New , from HGA3 CG331 CG3C51 CG3C52, penalty= 80
HGA3   CG331  CG3C50 CG321      0.1600  3     0.00 ! New , from HGA3 CG331 CG3RC1 CG321, penalty= 22

IMPROPERS

END
RETURN
