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fleshing out bitorsion fix

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Steve Plimpton
2022-03-29 14:09:17 -06:00
parent 9b53bd0fbf
commit 841931b92b
3 changed files with 327 additions and 27 deletions
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examples/amoeba/in.ubiquitin
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@ -29,7 +29,7 @@ read_data data.ubiquitin fix amtype NULL "Tinker Types" &
fix pit pitorsions PiTorsions &
fix bit bitorsions BiTorsions
pair_style amoeba exclude bitorsion
pair_style amoeba
pair_coeff * * amoeba_ubiquitin.prm amoeba_ubiquitin.key
special_bonds lj/coul 0.5 0.5 0.5 one/five yes