Created
February 24, 2017 06:40
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Argon topology???
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[ defaults ] | |
; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ | |
1 1 no 1.0 1.0 | |
[ atomtypes ] | |
Ar 39.948 0.0 A 0.00622127 9.69576e-06 | |
[ moleculetype ] | |
; molname nrexcl | |
Arg 2 | |
[ atoms ] | |
; id at type res nr residu name at name cg nr charge | |
1 Ar 1 Arg Ar 1 0 | |
[ system ] | |
; Name | |
Argon | |
[ molecules ] | |
; Compound #mols | |
Arg 3 | |
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