;[ defaults ] ;;nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ ; 1 2 yes 1.0000 1.0000 ; ;[ atomtypes ] ;; name mass charge ptype sigma epsilon ; Na 22.9900 1.0000 A 0.235019 0.543920 ; Nal 22.9900 1.0000 A 0.272970 0.418400 ; K 39.1000 1.0000 A 0.3048655 0.418400 ; Li 6.9400 1.0000 A 2.1203389e-01 0.418400 ; Cs 132.900 1.0000 A 3.830864e-01 0.418400 ; S 0.0000 -2.0000 S 0.00000 0.000000 [ moleculetype] ; name nrexcl MNA 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 Na 1 MNA NA 1 2.0000 2 S 1 MI S 1 -1.0000 [ polarization ] ; ai aj funct alfa 1 2 1 0.00024 [ moleculetype] ; name nrexcl MK 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 K 1 MK K 1 2.0000 2 S 1 MI S 1 -1.0000 [ polarization ] ; ai aj funct alfa 1 2 1 0.00085 [ moleculetype] ; name nrexcl MLI 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 Li 1 MLI LI 1 2.0000 2 S 1 MI S 1 -1.0000 [ polarization ] ; ai aj funct alfa 1 2 1 0.000000001 [ moleculetype] ; name nrexcl MCS 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 Cs 1 MCS CS 1 2.0000 2 S 1 MI S 1 -1.0000 [ polarization ] ; ai aj funct alfa 1 2 1 0.00242