PBEN.itp

;;;;;; PROPYL-BENZENE
;
; Reference(s):
;   PCT Souza, S Thallmair, P Conflitti, JC Ramirez Palacios, R Alessandri, S Raniolo, V Limongelli, SJ Marrink, Protein-Ligand
;   Binding with the Coarse-Grained Martini Model, Nat. Commun. 2020, 11, 3714, [DOI: 10.1038/s41467-020-17437-5].
;
; Note(s):
;   Bead types updated to the Martini 3 parameters from the Martini 3 open-beta model [DOI: 10.1038/s41467-020-17437-5].
;

[moleculetype]
; molname       nrexcl
  PBEN          1

[atoms]
; id    type    resnr   residu  atom    cgnr    charge
  1     TC5     1       PBEN    R1      1       0 
  2     TC5     1       PBEN    R2      2       0 
  3     TC5     1       PBEN    R3      3       0
  4     SC2     1       PBEN    R4      4       0

[bonds]
; i j   funct   length  force.c.
  2 4   1       0.34    5000
  3 4   1       0.34    5000

[constraints]
; i j   funct   length
  1 2   1       0.291
  2 3   1       0.291
  1 3   1       0.291

[ dihedrals ]
; improper
; i j k l  funct  ref.angle force_k
  1 2 3 4    2      180       20  

[ exclusions ]
 1 4