yank - Revision 1182: /test-systems/hydration/mobley-504-molecule-implicit/prmcrd

• ..
• 1112_tetrachloroethane.crd
• 1112_tetrachloroethane.prmtop
• 111_trichloroethane.crd
• 111_trichloroethane.prmtop
• 111_trifluoro_222_trimethoxyethane.crd
• 111_trifluoro_222_trimethoxyethane.prmtop
• 111_trifluoropropan_2_ol.crd
• 111_trifluoropropan_2_ol.prmtop
• 111_trimethoxyethane.crd
• 111_trimethoxyethane.prmtop
• 1122_tetrachloroethane.crd
• 1122_tetrachloroethane.prmtop
• 112_trichloro_122_trifluoroethane.crd
• 112_trichloro_122_trifluoroethane.prmtop
• 112_trichloroethane.crd
• 112_trichloroethane.prmtop
• 11_diacetoxyethane.crd
• 11_diacetoxyethane.prmtop
• 11_dichloroethane.crd
• 11_dichloroethane.prmtop
• 11_dichloroethene.crd
• 11_dichloroethene.prmtop
• 11_diethoxyethane.crd
• 11_diethoxyethane.prmtop
• 11_difluoroethane.crd
• 11_difluoroethane.prmtop
• 1234_tetrachlorobenzene.crd
• 1234_tetrachlorobenzene.prmtop
• 1235_tetrachlorobenzene.crd
• 1235_tetrachlorobenzene.prmtop
• 123_trichlorobenzene.crd
• 123_trichlorobenzene.prmtop
• 123_trimethylbenzene.crd
• 123_trimethylbenzene.prmtop
• 1245_tetrachlorobenzene.crd
• 1245_tetrachlorobenzene.prmtop
• 124_trichlorobenzene.crd
• 124_trichlorobenzene.prmtop
• 124_trimethylbenzene.crd
• 124_trimethylbenzene.prmtop
• 12_diacetoxyethane.crd
• 12_diacetoxyethane.prmtop
• 12_dibromoethane.crd
• 12_dibromoethane.prmtop
• 12_dichlorobenzene.crd
• 12_dichlorobenzene.prmtop
• 12_dichloroethane.crd
• 12_dichloroethane.prmtop
• 12_dichloropropane.crd
• 12_dichloropropane.prmtop
• 12_diethoxyethane.crd
• 12_diethoxyethane.prmtop
• 12_dimethoxyethane.crd
• 12_dimethoxyethane.prmtop
• 12_ethanediol.crd
• 12_ethanediol.prmtop
• 135_trichlorobenzene.crd
• 135_trichlorobenzene.prmtop
• 135_trimethylbenzene.crd
• 135_trimethylbenzene.prmtop
• 13_dichlorobenzene.crd
• 13_dichlorobenzene.prmtop
• 13_dichloropropane.crd
• 13_dichloropropane.prmtop
• 13_dimethylnaphthalene.crd
• 13_dimethylnaphthalene.prmtop
• 14_dichlorobenzene.crd
• 14_dichlorobenzene.prmtop
• 14_dichlorobutane.crd
• 14_dichlorobutane.prmtop
• 14_dimethyl_piperazine.crd
• 14_dimethyl_piperazine.prmtop
• 14_dimethylnaphthalene.crd
• 14_dimethylnaphthalene.prmtop
• 14_dioxane.crd
• 14_dioxane.prmtop
• 1_bromo_2_chloroethane.crd
• 1_bromo_2_chloroethane.prmtop
• 1_bromo_2_methylpropane.crd
• 1_bromo_2_methylpropane.prmtop
• 1_bromobutane.crd
• 1_bromobutane.prmtop
• 1_bromoheptane.crd
• 1_bromoheptane.prmtop
• 1_bromohexane.crd
• 1_bromohexane.prmtop
• 1_bromooctane.crd
• 1_bromooctane.prmtop
• 1_bromopentane.crd
• 1_bromopentane.prmtop
• 1_bromopropane.crd
• 1_bromopropane.prmtop
• 1_chloro_222_trifluoroethane.crd
• 1_chloro_222_trifluoroethane.prmtop
• 1_chlorobutane.crd
• 1_chlorobutane.prmtop
• 1_chloroheptane.crd
• 1_chloroheptane.prmtop
• 1_chlorohexane.crd
• 1_chlorohexane.prmtop
• 1_chloropentane.crd
• 1_chloropentane.prmtop
• 1_chloropropane.crd
• 1_chloropropane.prmtop
• 1_ethylnaphthalene.crd
• 1_ethylnaphthalene.prmtop
• 1_iodobutane.crd
• 1_iodobutane.prmtop
• 1_iodoheptane.crd
• 1_iodoheptane.prmtop
• 1_iodohexane.crd
• 1_iodohexane.prmtop
• 1_iodopentane.crd
• 1_iodopentane.prmtop
• 1_iodopropane.crd
• 1_iodopropane.prmtop
• 1_methyl_imidazole.crd
• 1_methyl_imidazole.prmtop
• 1_methyl_pyrrole.crd
• 1_methyl_pyrrole.prmtop
• 1_methylcyclohexene.crd
• 1_methylcyclohexene.prmtop
• 1_methylnaphthalene.crd
• 1_methylnaphthalene.prmtop
• 1_naphthol.crd
• 1_naphthol.prmtop
• 1_naphthylamine.crd
• 1_naphthylamine.prmtop
• 1_nitrobutane.crd
• 1_nitrobutane.prmtop
• 1_nitropentane.crd
• 1_nitropentane.prmtop
• 1_nitropropane.crd
• 1_nitropropane.prmtop
• 222_trifluoroethanol.crd
• 222_trifluoroethanol.prmtop
• 224_trimethylpentane.crd
• 224_trimethylpentane.prmtop
• 225_trimethylhexane.crd
• 225_trimethylhexane.prmtop
• 22_dimethylbutane.crd
• 22_dimethylbutane.prmtop
• 22_dimethylpentane.crd
• 22_dimethylpentane.prmtop
• 22_dimethylpropane.crd
• 22_dimethylpropane.prmtop
• 234_trimethylpentane.crd
• 234_trimethylpentane.prmtop
• 23_dimethylbuta_13_diene.crd
• 23_dimethylbuta_13_diene.prmtop
• 23_dimethylbutane.crd
• 23_dimethylbutane.prmtop
• 23_dimethylnaphthalene.crd
• 23_dimethylnaphthalene.prmtop
• 23_dimethylpentane.crd
• 23_dimethylpentane.prmtop
• 23_dimethylphenol.crd
• 23_dimethylphenol.prmtop
• 23_dimethylpyridine.crd
• 23_dimethylpyridine.prmtop
• 24_dimethylpentan_3_one.crd
• 24_dimethylpentan_3_one.prmtop
• 24_dimethylpentane.crd
• 24_dimethylpentane.prmtop
• 24_dimethylphenol.crd
• 24_dimethylphenol.prmtop
• 24_dimethylpyridine.crd
• 24_dimethylpyridine.prmtop
• 25_dimethylphenol.crd
• 25_dimethylphenol.prmtop
• 25_dimethylpyridine.crd
• 25_dimethylpyridine.prmtop
• 25_dimethyltetrahydrofuran.crd
• 25_dimethyltetrahydrofuran.prmtop
• 26_dimethylaniline.crd
• 26_dimethylaniline.prmtop
• 26_dimethylnaphthalene.crd
• 26_dimethylnaphthalene.prmtop
• 26_dimethylphenol.crd
• 26_dimethylphenol.prmtop
• 26_dimethylpyridine.crd
• 26_dimethylpyridine.prmtop
• 2_bromo_2_methylpropane.crd
• 2_bromo_2_methylpropane.prmtop
• 2_bromopropane.crd
• 2_bromopropane.prmtop
• 2_butoxyethanol.crd
• 2_butoxyethanol.prmtop
• 2_chloro_111_trimethoxyethane.crd
• 2_chloro_111_trimethoxyethane.prmtop
• 2_chloro_2_methylpropane.crd
• 2_chloro_2_methylpropane.prmtop
• 2_chloroaniline.crd
• 2_chloroaniline.prmtop
• 2_chlorobutane.crd
• 2_chlorobutane.prmtop
• 2_chlorophenol.crd
• 2_chlorophenol.prmtop
• 2_chloropropane.crd
• 2_chloropropane.prmtop
• 2_chloropyridine.crd
• 2_chloropyridine.prmtop
• 2_chlorotoluene.crd
• 2_chlorotoluene.prmtop
• 2_ethoxyethanol.crd
• 2_ethoxyethanol.prmtop
• 2_ethylpyrazine.crd
• 2_ethylpyrazine.prmtop
• 2_ethylpyridine.crd
• 2_ethylpyridine.prmtop
• 2_ethyltoluene.crd
• 2_ethyltoluene.prmtop
• 2_fluorophenol.crd
• 2_fluorophenol.prmtop
• 2_iodophenol.crd
• 2_iodophenol.prmtop
• 2_iodopropane.crd
• 2_iodopropane.prmtop
• 2_isobutylpyrazine.crd
• 2_isobutylpyrazine.prmtop
• 2_methoxy_111_trimethoxyethane.crd
• 2_methoxy_111_trimethoxyethane.prmtop
• 2_methoxyaniline.crd
• 2_methoxyaniline.prmtop
• 2_methoxyethanamine.crd
• 2_methoxyethanamine.prmtop
• 2_methoxyethanol.crd
• 2_methoxyethanol.prmtop
• 2_methoxyphenol.crd
• 2_methoxyphenol.prmtop
• 2_methyl_but_2_ene.crd
• 2_methyl_but_2_ene.prmtop
• 2_methylbut_2_ene.crd
• 2_methylbut_2_ene.prmtop
• 2_methylbuta_13_diene.crd
• 2_methylbuta_13_diene.prmtop
• 2_methylbutan_1_ol.crd
• 2_methylbutan_1_ol.prmtop
• 2_methylbutan_2_ol.crd
• 2_methylbutan_2_ol.prmtop
• 2_methylbutane.crd
• 2_methylbutane.prmtop
• 2_methylhexane.crd
• 2_methylhexane.prmtop
• 2_methylpent_1_ene.crd
• 2_methylpent_1_ene.prmtop
• 2_methylpentan_2_ol.crd
• 2_methylpentan_2_ol.prmtop
• 2_methylpentan_3_ol.crd
• 2_methylpentan_3_ol.prmtop
• 2_methylpentane.crd
• 2_methylpentane.prmtop
• 2_methylpropan_1_ol.crd
• 2_methylpropan_1_ol.prmtop
• 2_methylpropan_2_ol.crd
• 2_methylpropan_2_ol.prmtop
• 2_methylpropane.crd
• 2_methylpropane.prmtop
• 2_methylpropene.crd
• 2_methylpropene.prmtop
• 2_methylpyrazine.crd
• 2_methylpyrazine.prmtop
• 2_methylpyridine.crd
• 2_methylpyridine.prmtop
• 2_methyltetrahydrofuran.crd
• 2_methyltetrahydrofuran.prmtop
• 2_methylthiophene.crd
• 2_methylthiophene.prmtop
• 2_naphthol.crd
• 2_naphthol.prmtop
• 2_naphthylamine.crd
• 2_naphthylamine.prmtop
• 2_nitroaniline.crd
• 2_nitroaniline.prmtop
• 2_nitrophenol.crd
• 2_nitrophenol.prmtop
• 2_nitropropane.crd
• 2_nitropropane.prmtop
• 2_nitrotoluene.crd
• 2_nitrotoluene.prmtop
• 2_phenylethanol.crd
• 2_phenylethanol.prmtop
• 2_propoxyethanol.crd
• 2_propoxyethanol.prmtop
• 333_trimethoxypropionitrile.crd
• 333_trimethoxypropionitrile.prmtop
• 33_dimethylbutan_2_one.crd
• 33_dimethylbutan_2_one.prmtop
• 33_dimethylpentane.crd
• 33_dimethylpentane.prmtop
• 34_dimethylphenol.crd
• 34_dimethylphenol.prmtop
• 34_dimethylpyridine.crd
• 34_dimethylpyridine.prmtop
• 35_dimethylphenol.crd
• 35_dimethylphenol.prmtop
• 35_dimethylpyridine.crd
• 35_dimethylpyridine.prmtop
• 3_acetylpyridine.crd
• 3_acetylpyridine.prmtop
• 3_chloroaniline.crd
• 3_chloroaniline.prmtop
• 3_chlorophenol.crd
• 3_chlorophenol.prmtop
• 3_chloroprop_1_ene.crd
• 3_chloroprop_1_ene.prmtop
• 3_chloropyridine.crd
• 3_chloropyridine.prmtop
• 3_cyanophenol.crd
• 3_cyanophenol.prmtop
• 3_cyanopyridine.crd
• 3_cyanopyridine.prmtop
• 3_ethylphenol.crd
• 3_ethylphenol.prmtop
• 3_ethylpyridine.crd
• 3_ethylpyridine.prmtop
• 3_formylpyridine.crd
• 3_formylpyridine.prmtop
• 3_hydroxybenzaldehyde.crd
• 3_hydroxybenzaldehyde.prmtop
• 3_methoxyaniline.crd
• 3_methoxyaniline.prmtop
• 3_methoxyphenol.crd
• 3_methoxyphenol.prmtop
• 3_methyl_1h_indole.crd
• 3_methyl_1h_indole.prmtop
• 3_methyl_but_1_ene.crd
• 3_methyl_but_1_ene.prmtop
• 3_methylbut_1_ene.crd
• 3_methylbut_1_ene.prmtop
• 3_methylbutan_1_ol.crd
• 3_methylbutan_1_ol.prmtop
• 3_methylbutan_2_one.crd
• 3_methylbutan_2_one.prmtop
• 3_methylbutanoic_acid.crd
• 3_methylbutanoic_acid.prmtop
• 3_methylheptane.crd
• 3_methylheptane.prmtop
• 3_methylhexane.crd
• 3_methylhexane.prmtop
• 3_methylpentane.crd
• 3_methylpentane.prmtop
• 3_methylpyridine.crd
• 3_methylpyridine.prmtop
• 3_nitroaniline.crd
• 3_nitroaniline.prmtop
• 3_nitrophenol.crd
• 3_nitrophenol.prmtop
• 3_nitrotoluene.crd
• 3_nitrotoluene.prmtop
• 3_phenylpropanol.crd
• 3_phenylpropanol.prmtop
• 4_acetylpyridine.crd
• 4_acetylpyridine.prmtop
• 4_bromophenol.crd
• 4_bromophenol.prmtop
• 4_bromotoluene.crd
• 4_bromotoluene.prmtop
• 4_chloro_3_methylphenol.crd
• 4_chloro_3_methylphenol.prmtop
• 4_chloroaniline.crd
• 4_chloroaniline.prmtop
• 4_chlorophenol.crd
• 4_chlorophenol.prmtop
• 4_cyanophenol.crd
• 4_cyanophenol.prmtop
• 4_cyanopyridine.crd
• 4_cyanopyridine.prmtop
• 4_ethylphenol.crd
• 4_ethylphenol.prmtop
• 4_ethylpyridine.crd
• 4_ethylpyridine.prmtop
• 4_ethyltoluene.crd
• 4_ethyltoluene.prmtop
• 4_fluorophenol.crd
• 4_fluorophenol.prmtop
• 4_formylpyridine.crd
• 4_formylpyridine.prmtop
• 4_hydroxybenzaldehyde.crd
• 4_hydroxybenzaldehyde.prmtop
• 4_isopropyltoluene.crd
• 4_isopropyltoluene.prmtop
• 4_methoxyacetophenone.crd
• 4_methoxyacetophenone.prmtop
• 4_methoxyaniline.crd
• 4_methoxyaniline.prmtop
• 4_methyl_1h_imidazole.crd
• 4_methyl_1h_imidazole.prmtop
• 4_methylacetophenone.crd
• 4_methylacetophenone.prmtop
• 4_methylbenzaldehyde.crd
• 4_methylbenzaldehyde.prmtop
• 4_methylpentan_2_ol.crd
• 4_methylpentan_2_ol.prmtop
• 4_methylpentan_2_one.crd
• 4_methylpentan_2_one.prmtop
• 4_methylpyridine.crd
• 4_methylpyridine.prmtop
• 4_n_propylphenol.crd
• 4_n_propylphenol.prmtop
• 4_nitroaniline.crd
• 4_nitroaniline.prmtop
• 4_nitrophenol.crd
• 4_nitrophenol.prmtop
• 4_tert_butylphenol.crd
• 4_tert_butylphenol.prmtop
• E_12_dichloroethene.crd
• E_12_dichloroethene.prmtop
• E_but_2_enal.crd
• E_but_2_enal.prmtop
• E_hept_2_ene.crd
• E_hept_2_ene.prmtop
• E_hex_2_enal.crd
• E_hex_2_enal.prmtop
• E_oct_2_enal.crd
• E_oct_2_enal.prmtop
• NN_dimethyl_p_methoxybenzamide.crd
• NN_dimethyl_p_methoxybenzamide.prmtop
• NN_dimethyl_p_methylbenzamide.crd
• NN_dimethyl_p_methylbenzamide.prmtop
• NN_dimethyl_p_nitrobenzamide.crd
• NN_dimethyl_p_nitrobenzamide.prmtop
• NN_dimethylaniline.crd
• NN_dimethylaniline.prmtop
• NN_dimethylbenzamide.crd
• NN_dimethylbenzamide.prmtop
• NN_dimethylformamide.crd
• NN_dimethylformamide.prmtop
• N_acetylpyrrolidine.crd
• N_acetylpyrrolidine.prmtop
• N_methyl_N__222_trifluoroethyl__aniline.crd
• N_methyl_N__222_trifluoroethyl__aniline.prmtop
• N_methylacetamide.crd
• N_methylacetamide.prmtop
• N_methylaniline.crd
• N_methylaniline.prmtop
• N_methylmorpholine.crd
• N_methylmorpholine.prmtop
• N_methylpiperazine.crd
• N_methylpiperazine.prmtop
• N_methylpiperidine.crd
• N_methylpiperidine.prmtop
• Z_12_dichloroethene.crd
• Z_12_dichloroethene.prmtop
• Z_pent_2_ene.crd
• Z_pent_2_ene.prmtop
• acenaphthene.crd
• acenaphthene.prmtop
• acetaldehyde.crd
• acetaldehyde.prmtop
• acetic_acid.crd
• acetic_acid.prmtop
• acetonitrile.crd
• acetonitrile.prmtop
• acetophenone.crd
• acetophenone.prmtop
• alpha_methylstyrene.crd
• alpha_methylstyrene.prmtop
• ammonia.crd
• ammonia.prmtop
• aniline.crd
• aniline.prmtop
• anisole.crd
• anisole.prmtop
• anthracene.crd
• anthracene.prmtop
• azetidine.crd
• azetidine.prmtop
• benzaldehyde.crd
• benzaldehyde.prmtop
• benzamide.crd
• benzamide.prmtop
• benzene.crd
• benzene.prmtop
• benzonitrile.crd
• benzonitrile.prmtop
• benzotrifluoride.crd
• benzotrifluoride.prmtop
• benzyl_alcohol.crd
• benzyl_alcohol.prmtop
• benzyl_bromide.crd
• benzyl_bromide.prmtop
• benzyl_chloride.crd
• benzyl_chloride.prmtop
• biphenyl.crd
• biphenyl.prmtop
• bis_2_chloroethyl__ether.crd
• bis_2_chloroethyl__ether.prmtop
• bromobenzene.crd
• bromobenzene.prmtop
• bromoethane.crd
• bromoethane.prmtop
• bromomethane.crd
• bromomethane.prmtop
• bromotrifluoromethane.crd
• bromotrifluoromethane.prmtop
• but_1_ene.crd
• but_1_ene.prmtop
• but_1_yne.crd
• but_1_yne.prmtop
• buta_13_diene.crd
• buta_13_diene.prmtop
• butan_1_ol.crd
• butan_1_ol.prmtop
• butan_2_ol.crd
• butan_2_ol.prmtop
• butanenitrile.crd
• butanenitrile.prmtop
• butanoic_acid.crd
• butanoic_acid.prmtop
• butanone.crd
• butanone.prmtop
• butyraldehyde.crd
• butyraldehyde.prmtop
• chlorobenzene.crd
• chlorobenzene.prmtop
• chlorodifluoromethane.crd
• chlorodifluoromethane.prmtop
• chloroethane.crd
• chloroethane.prmtop
• chloroethylene.crd
• chloroethylene.prmtop
• chlorofluoromethane.crd
• chlorofluoromethane.prmtop
• chloromethane.crd
• chloromethane.prmtop
• cis_12_dimethylcyclohexane.crd
• cis_12_dimethylcyclohexane.prmtop
• cyanobenzene.crd
• cyanobenzene.prmtop
• cyclohepta_135_triene.crd
• cyclohepta_135_triene.prmtop
• cycloheptanol.crd
• cycloheptanol.prmtop
• cyclohexane.crd
• cyclohexane.prmtop
• cyclohexanol.crd
• cyclohexanol.prmtop
• cyclohexanone.crd
• cyclohexanone.prmtop
• cyclohexene.crd
• cyclohexene.prmtop
• cyclohexylamine.crd
• cyclohexylamine.prmtop
• cyclopentane.crd
• cyclopentane.prmtop
• cyclopentanol.crd
• cyclopentanol.prmtop
• cyclopentanone.crd
• cyclopentanone.prmtop
• cyclopentene.crd
• cyclopentene.prmtop
• cyclopropane.crd
• cyclopropane.prmtop
• decan_1_ol.crd
• decan_1_ol.prmtop
• decan_2_one.crd
• decan_2_one.prmtop
• di_isopropyl_sulfide.crd
• di_isopropyl_sulfide.prmtop
• di_n_butyl_ether.crd
• di_n_butyl_ether.prmtop
• di_n_butylamine.crd
• di_n_butylamine.prmtop
• di_n_propyl_ether.crd
• di_n_propyl_ether.prmtop
• di_n_propyl_sulfide.crd
• di_n_propyl_sulfide.prmtop
• di_n_propylamine.crd
• di_n_propylamine.prmtop
• dibromomethane.crd
• dibromomethane.prmtop
• dichloromethane.crd
• dichloromethane.prmtop
• diethoxymethoxybenzene.crd
• diethoxymethoxybenzene.prmtop
• diethyl_disulfide.crd
• diethyl_disulfide.prmtop
• diethyl_ether.crd
• diethyl_ether.prmtop
• diethyl_malonate.crd
• diethyl_malonate.prmtop
• diethyl_succinate.crd
• diethyl_succinate.prmtop
• diethyl_sulfide.crd
• diethyl_sulfide.prmtop
• diethylamine.crd
• diethylamine.prmtop
• diiodomethane.crd
• diiodomethane.prmtop
• diisopropyl_ether.crd
• diisopropyl_ether.prmtop
• diisopropylamine.crd
• diisopropylamine.prmtop
• dimethoxymethane.crd
• dimethoxymethane.prmtop
• dimethyl_disulfide.crd
• dimethyl_disulfide.prmtop
• dimethyl_ether.crd
• dimethyl_ether.prmtop
• dimethyl_sulfate.crd
• dimethyl_sulfate.prmtop
• dimethyl_sulfide.crd
• dimethyl_sulfide.prmtop
• dimethyl_sulfone.crd
• dimethyl_sulfone.prmtop
• dimethyl_sulfoxide.crd
• dimethyl_sulfoxide.prmtop
• dimethylamine.crd
• dimethylamine.prmtop
• ethanamide.crd
• ethanamide.prmtop
• ethane.crd
• ethane.prmtop
• ethanethiol.crd
• ethanethiol.prmtop
• ethanol.crd
• ethanol.prmtop
• ethene.crd
• ethene.prmtop
• ethyl_acetate.crd
• ethyl_acetate.prmtop
• ethyl_benzoate.crd
• ethyl_benzoate.prmtop
• ethyl_butanoate.crd
• ethyl_butanoate.prmtop
• ethyl_formate.crd
• ethyl_formate.prmtop
• ethyl_hexanoate.crd
• ethyl_hexanoate.prmtop
• ethyl_pentanoate.crd
• ethyl_pentanoate.prmtop
• ethyl_phenyl_ether.crd
• ethyl_phenyl_ether.prmtop
• ethyl_propanoate.crd
• ethyl_propanoate.prmtop
• ethylamine.crd
• ethylamine.prmtop
• ethylbenzene.crd
• ethylbenzene.prmtop
• fluorene.crd
• fluorene.prmtop
• fluorobenzene.crd
• fluorobenzene.prmtop
• fluoromethane.crd
• fluoromethane.prmtop
• formaldehyde.crd
• formaldehyde.prmtop
• halothane.crd
• halothane.prmtop
• hept_1_ene.crd
• hept_1_ene.prmtop
• hept_1_yne.crd
• hept_1_yne.prmtop
• heptan_1_ol.crd
• heptan_1_ol.prmtop
• heptan_2_one.crd
• heptan_2_one.prmtop
• heptan_4_one.crd
• heptan_4_one.prmtop
• heptanal.crd
• heptanal.prmtop
• hex_1_ene.crd
• hex_1_ene.prmtop
• hex_1_yne.crd
• hex_1_yne.prmtop
• hexa_15_diene.crd
• hexa_15_diene.prmtop
• hexafluoropropene.crd
• hexafluoropropene.prmtop
• hexan_1_ol.crd
• hexan_1_ol.prmtop
• hexan_2_one.crd
• hexan_2_one.prmtop
• hexan_3_ol.crd
• hexan_3_ol.prmtop
• hexanal.crd
• hexanal.prmtop
• hexanoic_acid.crd
• hexanoic_acid.prmtop
• hydrazine.crd
• hydrazine.prmtop
• hydrogen_sulfide.crd
• hydrogen_sulfide.prmtop
• imidazole.crd
• imidazole.prmtop
• indane.crd
• indane.prmtop
• iodobenzene.crd
• iodobenzene.prmtop
• iodoethane.crd
• iodoethane.prmtop
• iodomethane.crd
• iodomethane.prmtop
• isoamyl_acetate.crd
• isoamyl_acetate.prmtop
• isoamyl_formate.crd
• isoamyl_formate.prmtop
• isobutyl_acetate.crd
• isobutyl_acetate.prmtop
• isobutyl_formate.crd
• isobutyl_formate.prmtop
• isobutyl_isobutanoate.crd
• isobutyl_isobutanoate.prmtop
• isobutylbenzene.crd
• isobutylbenzene.prmtop
• isobutyraldehyde.crd
• isobutyraldehyde.prmtop
• isoflurane.crd
• isoflurane.prmtop
• isopropyl_acetate.crd
• isopropyl_acetate.prmtop
• isopropyl_formate.crd
• isopropyl_formate.prmtop
• isopropylbenzene.crd
• isopropylbenzene.prmtop
• m_bis_trifluoromethyl__benzene.crd
• m_bis_trifluoromethyl__benzene.prmtop
• m_cresol.crd
• m_cresol.prmtop
• m_xylene.crd
• m_xylene.prmtop
• methane.crd
• methane.prmtop
• methanesulfonyl_chloride.crd
• methanesulfonyl_chloride.prmtop
• methanethiol.crd
• methanethiol.prmtop
• methanol.crd
• methanol.prmtop
• methoxyflurane.crd
• methoxyflurane.prmtop
• methyl_acetate.crd
• methyl_acetate.prmtop
• methyl_benzoate.crd
• methyl_benzoate.prmtop
• methyl_butanoate.crd
• methyl_butanoate.prmtop
• methyl_chloroacetate.crd
• methyl_chloroacetate.prmtop
• methyl_cyanoacetate.crd
• methyl_cyanoacetate.prmtop
• methyl_cyclohexanecarboxylate.crd
• methyl_cyclohexanecarboxylate.prmtop
• methyl_cyclohexyl_ketone.crd
• methyl_cyclohexyl_ketone.prmtop
• methyl_cyclopropanecarboxylate.crd
• methyl_cyclopropanecarboxylate.prmtop
• methyl_cyclopropyl_ketone.crd
• methyl_cyclopropyl_ketone.prmtop
• methyl_ethyl_ether.crd
• methyl_ethyl_ether.prmtop
• methyl_ethyl_sulfide.crd
• methyl_ethyl_sulfide.prmtop
• methyl_formate.crd
• methyl_formate.prmtop
• methyl_hexanoate.crd
• methyl_hexanoate.prmtop
• methyl_isopropyl_ether.crd
• methyl_isopropyl_ether.prmtop
• methyl_methanesulfonate.crd
• methyl_methanesulfonate.prmtop
• methyl_octanoate.crd
• methyl_octanoate.prmtop
• methyl_p_methoxybenzoate.crd
• methyl_p_methoxybenzoate.prmtop
• methyl_p_nitrobenzoate.crd
• methyl_p_nitrobenzoate.prmtop
• methyl_pentanoate.crd
• methyl_pentanoate.prmtop
• methyl_propanoate.crd
• methyl_propanoate.prmtop
• methyl_propyl_ether.crd
• methyl_propyl_ether.prmtop
• methyl_t_butyl_ether.crd
• methyl_t_butyl_ether.prmtop
• methyl_tert_butyl_ether.crd
• methyl_tert_butyl_ether.prmtop
• methyl_trifluoroacetate.crd
• methyl_trifluoroacetate.prmtop
• methyl_trimethylacetate.crd
• methyl_trimethylacetate.prmtop
• methylamine.crd
• methylamine.prmtop
• methylcyclohexane.crd
• methylcyclohexane.prmtop
• methylcyclopentane.crd
• methylcyclopentane.prmtop
• morpholine.crd
• morpholine.prmtop
• n_butane.crd
• n_butane.prmtop
• n_butanethiol.crd
• n_butanethiol.prmtop
• n_butyl_acetate.crd
• n_butyl_acetate.prmtop
• n_butylacetamide.crd
• n_butylacetamide.prmtop
• n_butylamine.crd
• n_butylamine.prmtop
• n_butylbenzene.crd
• n_butylbenzene.prmtop
• n_decane.crd
• n_decane.prmtop
• n_heptane.crd
• n_heptane.prmtop
• n_heptylamine.crd
• n_heptylamine.prmtop
• n_hexane.crd
• n_hexane.prmtop
• n_hexyl_acetate.crd
• n_hexyl_acetate.prmtop
• n_hexylamine.crd
• n_hexylamine.prmtop
• n_hexylbenzene.crd
• n_hexylbenzene.prmtop
• n_nonane.crd
• n_nonane.prmtop
• n_octane.crd
• n_octane.prmtop
• n_octylamine.crd
• n_octylamine.prmtop
• n_pentane.crd
• n_pentane.prmtop
• n_pentyl_acetate.crd
• n_pentyl_acetate.prmtop
• n_pentyl_propanoate.crd
• n_pentyl_propanoate.prmtop
• n_pentylamine.crd
• n_pentylamine.prmtop
• n_pentylbenzene.crd
• n_pentylbenzene.prmtop
• n_pentylcyclopentane.crd
• n_pentylcyclopentane.prmtop
• n_propanethiol.crd
• n_propanethiol.prmtop
• n_propyl_acetate.crd
• n_propyl_acetate.prmtop
• n_propyl_butyrate.crd
• n_propyl_butyrate.prmtop
• n_propyl_formate.crd
• n_propyl_formate.prmtop
• n_propyl_propanoate.crd
• n_propyl_propanoate.prmtop
• n_propylamine.crd
• n_propylamine.prmtop
• n_propylbenzene.crd
• n_propylbenzene.prmtop
• n_propylcyclopentane.crd
• n_propylcyclopentane.prmtop
• naphthalene.crd
• naphthalene.prmtop
• nitrobenzene.crd
• nitrobenzene.prmtop
• nitroethane.crd
• nitroethane.prmtop
• nitromethane.crd
• nitromethane.prmtop
• non_1_ene.crd
• non_1_ene.prmtop
• nonan_1_ol.crd
• nonan_1_ol.prmtop
• nonan_2_one.crd
• nonan_2_one.prmtop
• nonan_5_one.crd
• nonan_5_one.prmtop
• nonanal.crd
• nonanal.prmtop
• o_cresol.crd
• o_cresol.prmtop
• o_toluidine.crd
• o_toluidine.prmtop
• o_xylene.crd
• o_xylene.prmtop
• oct_1_ene.crd
• oct_1_ene.prmtop
• oct_1_yne.crd
• oct_1_yne.prmtop
• octan_1_ol.crd
• octan_1_ol.prmtop
• octan_2_one.crd
• octan_2_one.prmtop
• octanal.crd
• octanal.prmtop
• p_cresol.crd
• p_cresol.prmtop
• p_dibromobenzene.crd
• p_dibromobenzene.prmtop
• p_toluidine.crd
• p_toluidine.prmtop
• p_xylene.crd
• p_xylene.prmtop
• pent_1_ene.crd
• pent_1_ene.prmtop
• pent_1_yne.crd
• pent_1_yne.prmtop
• penta_14_diene.crd
• penta_14_diene.prmtop
• pentachloroethane.crd
• pentachloroethane.prmtop
• pentan_1_ol.crd
• pentan_1_ol.prmtop
• pentan_2_ol.crd
• pentan_2_ol.prmtop
• pentan_2_one.crd
• pentan_2_one.prmtop
• pentan_3_ol.crd
• pentan_3_ol.prmtop
• pentan_3_one.crd
• pentan_3_one.prmtop
• pentanal.crd
• pentanal.prmtop
• pentanenitrile.crd
• pentanenitrile.prmtop
• pentanoic_acid.crd
• pentanoic_acid.prmtop
• phenanthrene.crd
• phenanthrene.prmtop
• phenol.crd
• phenol.prmtop
• phenyl_formate.crd
• phenyl_formate.prmtop
• phenyl_methyl_sulfide.crd
• phenyl_methyl_sulfide.prmtop
• phenyl_trifluoroethyl_ether.crd
• phenyl_trifluoroethyl_ether.prmtop
• piperazine.crd
• piperazine.prmtop
• piperidine.crd
• piperidine.prmtop
• prop_2_en_1_ol.crd
• prop_2_en_1_ol.prmtop
• propan_1_ol.crd
• propan_1_ol.prmtop
• propan_2_ol.crd
• propan_2_ol.prmtop
• propane.crd
• propane.prmtop
• propanenitrile.crd
• propanenitrile.prmtop
• propanoic_acid.crd
• propanoic_acid.prmtop
• propanone.crd
• propanone.prmtop
• propene.crd
• propene.prmtop
• propionaldehyde.crd
• propionaldehyde.prmtop
• propyne.crd
• propyne.prmtop
• pyrene.crd
• pyrene.prmtop
• pyridine.crd
• pyridine.prmtop
• pyrrole.crd
• pyrrole.prmtop
• pyrrolidine.crd
• pyrrolidine.prmtop
• quinoline.crd
• quinoline.prmtop
• sec_butylbenzene.crd
• sec_butylbenzene.prmtop
• styrene.crd
• styrene.prmtop
• teflurane.crd
• teflurane.prmtop
• tert_butylbenzene.crd
• tert_butylbenzene.prmtop
• tetrachloroethene.crd
• tetrachloroethene.prmtop
• tetrachloromethane.crd
• tetrachloromethane.prmtop
• tetrafluoromethane.crd
• tetrafluoromethane.prmtop
• tetrahydrofuran.crd
• tetrahydrofuran.prmtop
• tetrahydropyran.crd
• tetrahydropyran.prmtop
• thiophene.crd
• thiophene.prmtop
• thiophenol.crd
• thiophenol.prmtop
• toluene.crd
• toluene.prmtop
• trans_14_dimethylcyclohexane.crd
• trans_14_dimethylcyclohexane.prmtop
• triacetyl_glycerol.crd
• triacetyl_glycerol.prmtop
• tribromomethane.crd
• tribromomethane.prmtop
• trichloroethene.crd
• trichloroethene.prmtop
• trichloromethane.crd
• trichloromethane.prmtop
• triethyl_phosphate.crd
• triethyl_phosphate.prmtop
• triethylamine.crd
• triethylamine.prmtop
• trimethoxy_methane.crd
• trimethoxy_methane.prmtop
• trimethoxymethylbenzene.crd
• trimethoxymethylbenzene.prmtop
• trimethyl_phosphate.crd
• trimethyl_phosphate.prmtop
• trimethylamine.crd
• trimethylamine.prmtop
• undecan_2_one.crd
• undecan_2_one.prmtop