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Fix load_lj_pair_params2 for MIC
[alexxy/gromacs.git]
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encads.ff
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f3c.itp
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; f3c water for use with the Encad force fields.
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[ moleculetype ]
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; molname nrexcl
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SOL 2
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#ifdef _FF_ENCAD
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[ atoms ]
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; nr type resnr residue atom cgnr charge mass
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1 OW 1 SOL OW 1 -0.82
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2 HW 1 SOL HW1 1 0.41
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3 HW 1 SOL HW2 1 0.41
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[ bonds ]
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; i j funct length force.c.
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1 2 1 0.1 209200
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1 3 1 0.1 209200
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[ angles ]
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; i j k funct angle force.c.
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2 1 3 1 109.47 502.08
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#endif
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