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adit
322ddc4ad6
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2 years ago | |
|---|---|---|
| .. | ||
| ANTECHAMBER_AC.AC | 2 years ago | |
| ANTECHAMBER_AC.AC0 | 2 years ago | |
| ANTECHAMBER_AM1BCC.AC | 2 years ago | |
| ANTECHAMBER_AM1BCC_PRE.AC | 2 years ago | |
| ANTECHAMBER_BOND_TYPE.AC | 2 years ago | |
| ANTECHAMBER_BOND_TYPE.AC0 | 2 years ago | |
| ANTECHAMBER_GAS.AC | 2 years ago | |
| ANTECHAMBER_GAS_AT.AC | 2 years ago | |
| ATOMTYPE.INF | 2 years ago | |
| H-H.skf | 2 years ago | |
| H-O.skf | 2 years ago | |
| O-H.skf | 2 years ago | |
| O-O.skf | 2 years ago | |
| chrgfile | 2 years ago | |
| cmmd.engrad | 2 years ago | |
| cmmd.gbw | 2 years ago | |
| cmmd.in | 2 years ago | |
| cmmd.opt | 2 years ago | |
| cmmd.out | 2 years ago | |
| cmmd.xtbrestart | 2 years ago | |
| cmmd.xyz | 2 years ago | |
| cmmd_property.txt | 2 years ago | |
| cmmd_trj.xyz | 2 years ago | |
| dftb.inp | 2 years ago | |
| geom.smi | 2 years ago | |
| geom.xyz | 2 years ago | |
| leap.log | 2 years ago | |
| run.sh | 2 years ago | |
| run_babel.sh | 2 years ago | |
| slurm-2586.out | 2 years ago | |
| slurm-2587.out | 2 years ago | |
| slurm-2592.out | 2 years ago | |
| slurm-2593.out | 2 years ago | |
| slurm-2594.out | 2 years ago | |
| slurm-2595.out | 2 years ago | |
| slurm-2596.out | 2 years ago | |
| sqm.in | 2 years ago | |
| sqm.out | 2 years ago | |
| sqm.pdb | 2 years ago | |
| tleap.in | 2 years ago | |
| water.frcmod | 2 years ago | |
| water.inpcrd | 2 years ago | |
| water.lib | 2 years ago | |
| water.mol2 | 2 years ago | |
| water.parmtop | 2 years ago | |
| water.pdb | 2 years ago | |
| water_gaff.pdb | 2 years ago | |
| water_mod.mol2 | 2 years ago | |