23 lines
486 B
Plaintext
23 lines
486 B
Plaintext
[ 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
|
|
Ar 1
|
|
|
|
[ atoms ]
|
|
; id at type res nr residu name at name cg nr charge
|
|
1 AR 1 Ar Ar 1 0
|
|
|
|
[ system ]
|
|
; Name
|
|
Argon
|
|
|
|
[ molecules ]
|
|
; Compound #mols
|
|
AR 100
|