PSS.martini.2.itp

; POLYSTYRENE SULFONATE (A-mapping)
;
; NUMBER OF MONOMERS:           30
;
;
; If you use those parameters, please cite:
;
; M. Voegele, J. Smiatek, C. Holm
; Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)
; The Journal of Chemical Physics 143(24):243151, December 2015.
; DOI: 10.1063/1.4937805
;


[ moleculetype ]
; molname  nrexcl
PSS       3


[ atoms ]
;  nr    type       resnr  residu    atom    cgnr        charge
   1    STY            1   PSS       R1       1     0.00000E+00   45
   2    STY            1   PSS       R2       2     0.00000E+00   45
   3    STY            1   PSS       R3       3     0.00000E+00   45
   4    SCY            1   PSS       B        4     0.00000E+00   45
   5     Qa            1   PSS       S        5    -1.00000E+00   45
[ bonds ]
   1     4    1     0.270000 8000.000000
   4     6    1     0.270000 8000.000000
   2     5    1     0.278000 8000.000000
   3     5    1     0.278000 8000.000000
;
[ constraints ]
;  ai  aj  funct length
   2     3    1     0.270000
   3     1    1     0.270000
   1     2    1     0.270000
;
[ angles ]
;  ai  aj  ak  funct
   4     1     2    1   136.000000  100.000000
   4     1     3    1   136.000000  100.000000
   4     6     7    1   136.000000  100.000000
   4     6     8    1   136.000000  100.000000
   1     4     6    1   120.000000   25.000000
   4     6     9    1    52.000000  550.000000
;
[ dihedrals ]
; ai aj ak al funct q0 cq
   1     2     3     5   2   180.0000e+00 1.673600e+02
[ citation ]
Martini2
PSS_M2
polyply