[gmx-users] aniline beads

[mohammad agha]

Dear Gromacs users,

I defined tree beads for aniline consists of SC4, SC4 and SNd as following:

[moleculetype]
; molname     nrexcl
  DRG         1

[atoms]
; id     type     resnr     residu     atom     cgnr     charge
  1     SNd     1       DRG     NH2     1       0
  2     SC4     1     DRG      SI2     2     0 
  3    SC4     1     DRG      SI3    3     0 
[constraints]
;  i     j   funct   length  
   1     2    1       0.27     
   2     3    1       0.27     
   1     3    1       0.27     


May I ask you to say me is it right?

Best Regards
Sara
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