The attachment was not sent. This is the topology:
[ defaults ]
; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ
2 1 no 1.0 1.0
[ atomtypes ]
;type at.num mass charge ptype A B
C
Oc 8 15.99940 -2.000 A 0.000000000 0.000000000
0.000000000
NA 11 22.99000 1.000 A 0.000000000 0.000000000
0.000000000
AL 13 26.98000 3.000 A 0.000000000 0.000000000
0.000000000
[ nonbond_params ]
; i j func A (kJ/mol) B (nm-1) C (kJ/mol*nm6)
Oc Oc 2 921238.1335 45.62043796 0.002798075
NA Oc 2 57495.71256 26.69172130 0.000000000
AL Oc 2 73946.9875 29.42362069 0.000000000
NA NA 2 0.000000000 0.000000000 0.000000000
NA AL 2 0.000000000 0.000000000 0.000000000
[ moleculetype ]
; NAme nrexcl
AL 0
[ atoms ]
; nr type resnr residu atom cgnr charge
1 AL 1 UNK AL 1
[ moleculetype ]
; Name nrexcl
Na 0
[ atoms ]
; nr type resnr residue atom cgnr charge mass typeB
chargeB massB
1 NA 1 UNK NA 2
[ moleculetype ]
; Name nrexcl
Oc 0
[ atoms ]
; nr type resnr residue atom cgnr charge mass typeB
chargeB massB
1 Oc 1 UNK Oc 3
[ system ]
6x7x1
[ molecules ]
; Compound #mols
AL 1386
NA 126
Oc 2142
--
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