*>>>>>> CHARMM topology file generated by Molefacture <<<<<<
27 1

MASS     1 CG312  12.01100  C
MASS     2 FGA2   18.99800  F
MASS     3 HGA7    1.00794  H
MASS     4 CG321  12.01100  C
MASS     5 HGA2    1.00794  H
MASS     6 CG331  12.01100  C
MASS     7 HGA3    1.00794  H

AUTO ANGLES DIHE

RESI  PVDF     0.00  ! topology for PVDF

GROUP
ATOM   C1 CG312  0.38000 !
ATOM   F1 FGA2  -0.19000 !
ATOM   F2 FGA2  -0.19000 !
                         !    F1  H1  F3  H3
GROUP                    !    |   |   |   |
ATOM   C2 CG321 -0.18000 !  --C1--C2--C3--C4--
ATOM   H1 HGA2   0.09000 !    |   |   |   |
ATOM   H2 HGA2   0.09000 !    F2  H2  F4  H4
GROUP                    !
ATOM   C3 CG312  0.38000 !
ATOM   F3 FGA2  -0.19000 !
ATOM   F4 FGA2  -0.19000 !
GROUP                    !
ATOM   C4 CG331 -0.18000 !
ATOM   H3 HGA3   0.09000 !
ATOM   H4 HGA3   0.09000 !
BOND C1 C2  C1 F1  C1 F2  
BOND C2 H1  C2 H2  C2 C3  
BOND C3 C4  C3 F3  C3 F4  
BOND C4 H3  C4 H4  



PRES DIPP        0.0   ! patch for two PET molecules. Patch must be 1-PET and 2-PET
                       ! use in a patch statement
                       ! follow with AUTOgenerate ANGLes DIHEdrals command

!        1H3   2F1
!         |     |
!  1022--1C4---2C1--2012
!         |     |
!        1H4   2F2
BOND 1C4 +2C2
ANGLE   1H3 1C4 2C1 1H4 1C4 2C1
ANGLE   2F1 2C1 1C4 2F2 2C1 1C4
ANGLE   2012 2C1 1C4
ANGLE   1022 1C4 2C1
DIHE    1H3 1C4 2C1 2F1
DIHE    1H3 1C4 2C1 2F2
DIHE    1H3 1C4 2C1 2012
DIHE    1022 1C4 2C1 2F1
DIHE    1022 1C4 2C1 2F2
DIHE    1022 1C4 2C1 2012
DIHE    1H4 1C4 2C1 2F1
DIHE    1H4 1C4 2C1 2F2
DIHE    1H4 1C4 2C1 2012
DIHE    2012 2C1 1C4 1H3
DIHE    2012 2C1 1C4 1H4


PRES PCOC         0.0   ! carboxyl group
                        !
GROUP                   !
ATOM   C1 CG312  0.37000 !    F2   H1
ATOM   F1 FGA2  -0.19000 !     |   |
ATOM   F2 FGA2  -0.19000 !  F1-C1--C2-
ATOM   HF HGA7   0.10000 !     |   |
ATOM   C2 CG321 -0.18000 !     HF  H2        
ATOM   H1 HGA2   0.09000 !
ATOM   H2 HGA2   0.09000
BOND C1 HF               ! C2 charge modified
ANGLE HF C1 C2
ANGLE HF C1 F1
ANGLE HF C1 F2
DIHE  HF C1 C2 H1
DIHE  HF C1 C2 H2
DIHE HF C1 C2 C3
IC HF  C1  C2  C3   1.1100   0.0000  180.0000  0.0000  0.0000
IC HF  C1  C2  H1   1.1100   0.0000   60.0000  0.0000  0.0000
IC HF  C1  C2  H2   1.1100   0.0000  -60.0000  0.0000  0.0000


PRES PCON         0.0   ! H to terminal group
                        !
GROUP                   ! use in generate statement
ATOM   C4 CG313 -0.27000 !    H3   F3
ATOM   H3 HGA3   0.09000 !     |   |
ATOM   H4 HGA3   0.09000 !  H4-C4--C3-
ATOM   HL HGA3   0.09000 !     |   |
ATOM   C3 CG312  0.38000 !     HL  F4     
ATOM   F3 FGA2  -0.19000 !
ATOM   F4 FGA2  -0.19000
BOND C4 HL               ! C2 charge modified
ANGLE HL C4 H3
ANGLE HL C4 H4
ANGLE HL C4 C3
IC HL  C4  C3  C2   1.1100   0.0000  180.0000  0.0000  0.0000
IC HF  C4  C3  F3   1.1100   0.0000   60.0000  0.0000  0.0000
IC HF  C4  C3  F4   1.1100   0.0000  -60.0000  0.0000  0.0000

END




