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calculateFEP.py
643 Bytes
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ff-water_guaiacol.lmp
12.2 kB
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guaiacol_300_Coul.eps
33.2 kB
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in.FEP_01_2steps_coul
14.1 kB
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ff-water_guaiacol.lmp
12.2 kB
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guaiacol_300_LJ.eps
32.7 kB
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in.FEP_01_2steps_LJ
12.1 kB
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ff-water_guaiacol.lmp
12.2 kB
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in.FEP_10_2steps_coul
14.2 kB
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data.5000000.lmp
611.4 kB
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ff-water_guaiacol.lmp
12.2 kB
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in.FEP_10_2steps_LJ
12.1 kB
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trajectory.0.dcd
188.7 MB
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coord_solution.lmp
609.2 kB
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in.FEP_01_2steps_coul
13.2 kB
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phenol_300_Coul.eps
32.7 kB
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in.FEP_01_2steps_LJ
12.2 kB
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phenol_300_LJ.eps
33.1 kB
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in.FEP_10_2steps_coul
13.2 kB
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in.FEP_10_2steps_LJ
12.2 kB
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coord_solution.lmp
608.5 kB
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ff-water_guaiacol.lmp
11.9 kB
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guaiacol_ice.pdb
468.9 kB
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