* 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 PRL       0.000 ! param penalty= 328.000 ; charge penalty= 280.015
GROUP            ! CHARGE   CH_PENALTY
ATOM CA3    CG3C52  0.102 !  176.918
ATOM CA2    CG251O  0.080 !  280.015
ATOM NA1    NG3C51 -0.434 !  228.016
ATOM CA9    CG2R51  0.003 !   75.930
ATOM CA5    CG2R51 -0.371 !   11.966
ATOM CL13   CG321  -0.060 !   83.339
ATOM CL12   CG321  -0.189 !    7.416
ATOM CL11   CG331  -0.271 !    1.650
ATOM CX1    CG2D2  -0.480 !  202.400
ATOM H1     HGA2    0.090 !    3.540
ATOM H2     HGA2    0.090 !    3.540
ATOM H3     HGR52   0.171 !    2.942
ATOM H4     HGR51   0.179 !    1.886
ATOM H13A   HGA2    0.090 !    3.539
ATOM H13B   HGA2    0.090 !    3.539
ATOM H12A   HGA2    0.090 !    0.600
ATOM H12B   HGA2    0.090 !    0.600
ATOM H11A   HGA3    0.090 !    0.000
ATOM H11B   HGA3    0.090 !    0.000
ATOM H11C   HGA3    0.090 !    0.000
ATOM HX1    HGA5    0.230 !    4.392
ATOM HX2    HGA5    0.230 !    4.392

BOND CA3  CA2 
BOND CA3  CA5 
BOND CA3  H1  
BOND CA3  H2  
BOND CA2  NA1 
BOND CA2  CX1 
BOND NA1  CA9 
BOND NA1  CL13
BOND CA9  CA5 
BOND CA9  H3  
BOND CA5  H4  
BOND CL13 CL12
BOND CL13 H13A
BOND CL13 H13B
BOND CL12 CL11
BOND CL12 H12A
BOND CL12 H12B
BOND CL11 H11A
BOND CL11 H11B
BOND CL11 H11C
BOND CX1  HX1 
BOND CX1  HX2 

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 ! pyrrol , from CG251O CG2DC3, penalty= 210
CG251O CG3C52  300.00     1.5300 ! pyrrol , from CG2R53 CG3C52, penalty= 64
CG251O NG3C51  380.00     1.4000 ! pyrrol , from CG2R53 NG3C51, penalty= 64
CG321  NG3C51  263.00     1.4740 ! pyrrol , from CG321 NG311, penalty= 20

ANGLES
CG2D2  CG251O CG3C52   40.00    130.00 ! pyrrol , from CG2DC3 CG251O NG2R53, penalty= 268
CG2D2  CG251O NG3C51   40.00    130.00 ! pyrrol , from CG2DC3 CG251O NG2R53, penalty= 264.5
CG3C52 CG251O NG3C51  120.00    105.50 ! pyrrol , from CG3C52 CG2R53 NG2R53, penalty= 328
CG251O CG2D2  HGA5     45.00    120.50 ! pyrrol , from CG2D1 CG2D2 HGA5, penalty= 23
CG321  CG321  NG3C51   43.70    112.20 ! pyrrol , from CG331 CG321 NG311, penalty= 3.9
NG3C51 CG321  HGA2     32.40    109.50   50.00   2.13000 ! pyrrol , from NG311 CG321 HGA2, penalty= 3
CG251O CG3C52 CG2R51   76.00    107.60 ! pyrrol , from CG2R51 CG3C52 CG2R51, penalty= 4
CG251O CG3C52 HGA2     58.00    111.00 ! pyrrol , from CG2R53 CG3C52 HGA2, penalty= 3.5
CG251O NG3C51 CG2R51   45.00    104.80 ! pyrrol , from CG2R51 NG3C51 CG3C52, penalty= 75
CG251O NG3C51 CG321    47.00    103.90 ! pyrrol , from CG3C52 NG3C51 NG3P2, penalty= 123.5
CG2R51 NG3C51 CG321    47.00    103.90 ! pyrrol , from CG3C52 NG3C51 NG3P2, penalty= 122.5

DIHEDRALS
CG3C52 CG251O CG2D2  HGA5       5.2000  2   180.00 ! pyrrol , from CG321 CG2D1 CG2D2 HGA5, penalty= 295
NG3C51 CG251O CG2D2  HGA5       4.6000  2   180.00 ! pyrrol , from NG2R53 CG251O CG2DC3 HGA5, penalty= 294
CG2D2  CG251O CG3C52 CG2R51     2.0500  3   180.00 ! pyrrol , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 136.5
CG2D2  CG251O CG3C52 HGA2       0.0000  3     0.00 ! pyrrol , from CG2R51 CG2R51 CG3C52 HGA2, penalty= 136.5
NG3C51 CG251O CG3C52 CG2R51     2.0500  3   180.00 ! pyrrol , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 165.5
NG3C51 CG251O CG3C52 HGA2       0.0000  3   180.00 ! pyrrol , from NG2R53 CG2R53 CG3C52 HGA2, penalty= 148
CG2D2  CG251O NG3C51 CG2R51     8.0000  2   180.00 ! pyrrol , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 210.5
CG2D2  CG251O NG3C51 CG321      8.0000  2   180.00 ! pyrrol , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 167.5
CG3C52 CG251O NG3C51 CG2R51     4.0000  2   180.00 ! pyrrol , from NG2R50 CG2R53 NG3C51 CG3C52, penalty= 232.5
CG3C52 CG251O NG3C51 CG321      4.0000  2   180.00 ! pyrrol , from NG2R50 CG2R53 NG3C51 CG3C52, penalty= 189.5
CG2R51 CG2R51 CG3C52 CG251O     2.0500  3   180.00 ! pyrrol , from CG2R51 CG2R51 CG3C52 CG2R51, penalty= 4
HGR51  CG2R51 CG3C52 CG251O     2.0500  3     0.00 ! pyrrol , from HGR51 CG2R51 CG3C52 CG2R51, penalty= 4
CG2R51 CG2R51 NG3C51 CG251O     8.0000  2   180.00 ! pyrrol , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 75
CG2R51 CG2R51 NG3C51 CG321      8.0000  2   180.00 ! pyrrol , from CG2R51 CG2R51 NG3C51 CG3C52, penalty= 31
HGR52  CG2R51 NG3C51 CG251O     3.0000  2   180.00 ! pyrrol , from HGR52 CG2R51 NG3C51 CG3C52, penalty= 75
HGR52  CG2R51 NG3C51 CG321      3.0000  2   180.00 ! pyrrol , from HGR52 CG2R51 NG3C51 CG3C52, penalty= 31
CG331  CG321  CG321  NG3C51     0.1600  1   180.00 ! pyrrol , from CG331 CG321 CG321 OG301, penalty= 33
CG331  CG321  CG321  NG3C51     0.3900  2     0.00 ! pyrrol , from CG331 CG321 CG321 OG301, penalty= 33
NG3C51 CG321  CG321  HGA2       0.1600  3     0.00 ! pyrrol , from NG311 CG321 CG331 HGA3, penalty= 9
CG321  CG321  NG3C51 CG251O     2.5000  1   180.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 89
CG321  CG321  NG3C51 CG251O     1.5000  2     0.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 89
CG321  CG321  NG3C51 CG251O     0.5000  3     0.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 89
CG321  CG321  NG3C51 CG2R51     2.5000  1   180.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 88
CG321  CG321  NG3C51 CG2R51     1.5000  2     0.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 88
CG321  CG321  NG3C51 CG2R51     0.5000  3     0.00 ! pyrrol , from NG311 CG321 NG311 CG2R61, penalty= 88
HGA2   CG321  NG3C51 CG251O     0.0000  3   180.00 ! pyrrol , from HGA2 CG321 NG311 CG2R61, penalty= 49.5
HGA2   CG321  NG3C51 CG2R51     0.0000  3   180.00 ! pyrrol , from HGA2 CG321 NG311 CG2R61, penalty= 48.5

IMPROPERS

END
RETURN
