/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/others/isdb-1/charmm36-eef1sb.ff/ |
H A D | merged.vsd | 158 CE1 NE2 0.1335 159 NE2 CD2 0.1394 165 ND1 CE1 NE2 113.1 166 CE1 NE2 CD2 104.5 167 NE2 CD2 CG 109.3 179 CE1 NE2 0.1343 180 NE2 CD2 0.1381 184 NE2 HE2 0.101 200 CE1 NE2 0.1343 201 NE2 CD2 0.1381 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/charmm27.ff/ |
H A D | aminoacids.vsd | 156 CE1 NE2 0.1335 157 NE2 CD2 0.1394 165 NE2 CD2 CG 109.3 177 CE1 NE2 0.1343 178 NE2 CD2 0.1381 182 NE2 HE2 0.101 186 NE2 CD2 CG 106.4 198 CE1 NE2 0.1343 199 NE2 CD2 0.1381 204 NE2 HE2 0.101 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos53a5.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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H A D | aminoacids.hdb | 65 2 3 HE2 NE2 CD CG 81 1 1 HD2 CD2 CG NE2 82 1 1 HE1 CE1 ND1 NE2 86 1 1 HD2 CD2 CG NE2 87 1 1 HE1 CE1 ND1 NE2 91 1 1 HD2 CD2 CG NE2 92 1 1 HE1 CE1 ND1 NE2 95 1 1 HD2 CD2 CG NE2 96 1 1 HE1 CE1 ND1 NE2 97 1 1 HE2 NE2 CE1 CD2 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos53a6.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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H A D | aminoacids.hdb | 65 2 3 HE2 NE2 CD CG 81 1 1 HD2 CD2 CG NE2 82 1 1 HE1 CE1 ND1 NE2 86 1 1 HD2 CD2 CG NE2 87 1 1 HE1 CE1 ND1 NE2 91 1 1 HD2 CD2 CG NE2 92 1 1 HE1 CE1 ND1 NE2 95 1 1 HD2 CD2 CG NE2 96 1 1 HE1 CE1 ND1 NE2 97 1 1 HE2 NE2 CE1 CD2 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos45a3.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos54a7.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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H A D | aminoacids.hdb | 65 2 3 HE2 NE2 CD CG 81 1 1 HD2 CD2 CG NE2 82 1 1 HE1 CE1 ND1 NE2 86 1 1 HD2 CD2 CG NE2 87 1 1 HE1 CE1 ND1 NE2 91 1 1 HD2 CD2 CG NE2 92 1 1 HE1 CE1 ND1 NE2 95 1 1 HD2 CD2 CG NE2 96 1 1 HE1 CE1 ND1 NE2 97 1 1 HE2 NE2 CE1 CD2 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos43a1.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/gromos43a2.ff/ |
H A D | aminoacids.vsd | 126 CE1 NE2 0.133 127 NE2 CD2 0.133 133 NE2 CD2 CG 108.0 141 CE1 NE2 0.133 142 NE2 CD2 0.133 144 NE2 HE2 0.100 147 CE1 NE2 CD2 108.0 148 NE2 CD2 CG 108.0 156 CE1 NE2 0.133 157 NE2 CD2 0.133 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber96.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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H A D | aminoacids.hdb | 62 2 3 HE2 NE2 CD CG 77 1 1 HE1 CE1 ND1 NE2 78 1 1 HD2 CD2 CG NE2 83 1 1 HE1 CE1 ND1 NE2 84 1 1 HE2 NE2 CE1 CD2 85 1 1 HD2 CD2 CG NE2 91 1 1 HE1 CE1 ND1 NE2 92 1 1 HE2 NE2 CE1 CD2 93 1 1 HD2 CD2 CG NE2 261 2 3 HE2 NE2 CD CG [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber99.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amberGS.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber94.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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H A D | aminoacids.hdb | 62 2 3 HE2 NE2 CD CG 77 1 1 HE1 CE1 ND1 NE2 78 1 1 HD2 CD2 CG NE2 83 1 1 HE1 CE1 ND1 NE2 84 1 1 HE2 NE2 CE1 CD2 85 1 1 HD2 CD2 CG NE2 91 1 1 HE1 CE1 ND1 NE2 92 1 1 HE2 NE2 CE1 CD2 93 1 1 HD2 CD2 CG NE2 261 2 3 HE2 NE2 CD CG [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber99sb-ildn.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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H A D | aminoacids.hdb | 62 2 3 HE2 NE2 CD CG 77 1 1 HE1 CE1 ND1 NE2 78 1 1 HD2 CD2 CG NE2 83 1 1 HE1 CE1 ND1 NE2 84 1 1 HE2 NE2 CE1 CD2 85 1 1 HD2 CD2 CG NE2 91 1 1 HE1 CE1 ND1 NE2 92 1 1 HE2 NE2 CE1 CD2 93 1 1 HD2 CD2 CG NE2 261 2 3 HE2 NE2 CD CG [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber99sb.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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H A D | aminoacids.hdb | 62 2 3 HE2 NE2 CD CG 77 1 1 HE1 CE1 ND1 NE2 78 1 1 HD2 CD2 CG NE2 83 1 1 HE1 CE1 ND1 NE2 84 1 1 HE2 NE2 CE1 CD2 85 1 1 HD2 CD2 CG NE2 91 1 1 HE1 CE1 ND1 NE2 92 1 1 HE2 NE2 CE1 CD2 93 1 1 HD2 CD2 CG NE2 261 2 3 HE2 NE2 CD CG [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/amber03.ff/ |
H A D | aminoacids.vsd | 159 CE1 NE2 0.1335 160 NE2 CD2 0.1394 168 NE2 CD2 CG 109.3 181 CE1 NE2 0.1343 182 NE2 CD2 0.1381 186 NE2 HE2 0.101 190 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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/dports/science/gromacs/gromacs-2021.4/share/top/oplsaa.ff/ |
H A D | aminoacids.vsd | 161 CE1 NE2 0.1335 162 NE2 CD2 0.1394 170 NE2 CD2 CG 109.3 182 CE1 NE2 0.1343 183 NE2 CD2 0.1381 187 NE2 HE2 0.101 191 NE2 CD2 CG 106.4 203 CE1 NE2 0.1343 204 NE2 CD2 0.1381 209 NE2 HE2 0.101 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qhop/ |
H A D | qhop.par | 99 HIS ND1 1 HIS NE2 3 106 HIS NE2 2 HIS NE2 3 113 HIS NE2 2 HIS ND1 2 120 HIS NE2 1 HIS NE2 3 162 H2O OW 1 HIS NE2 3
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/qhop/ |
H A D | qhop.par | 99 HIS ND1 1 HIS NE2 3 106 HIS NE2 2 HIS NE2 3 113 HIS NE2 2 HIS ND1 2 120 HIS NE2 1 HIS NE2 3 162 H2O OW 1 HIS NE2 3
|