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Fix load_lj_pair_params2 for MIC
[alexxy/gromacs.git]
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encadv.ff
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aminoacids.c.tdb
1
[ None ]
2
3
[ COO- ]
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[ replace ]
5
C C Abis 12.011 0.64
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O O1 Obis 15.9994 -0.42
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OXT O2 Obis 15.9994 -0.42
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[ add ]
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2 8 O C CA N
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Obis 15.9994 -0.92
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[ dihedrals ]
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N CA C O2
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[ impropers ]
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CA O2 C O1 improper_X_X_A_X
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N C CA CB improper_X_X_C_X
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[ COOH ]
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[ replace ]
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C C Aprime 12.011 0.38
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O O OH 15.9994 -0.38
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OXT OT O 15.9994 -0.433
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[ add ]
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1 2 OT C CA N
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O 15.9994 -0.433
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1 2 HO O C CA
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HO 1.008 0.433
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[ dihedrals ]
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N CA C O
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[ impropers ]
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OT CA C O improper_X_X_A_X
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