Révision 9fd1daa6 tests/wrong.inp
b/tests/wrong.inp | ||
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17 | 17 |
molec_file = qweqwe.xyz # run_type-dependent |
18 | 18 |
cluster_magns = Perseus |
19 | 19 |
num_conformers = -3/2 |
20 |
num_prom_cand = i dunno |
|
21 |
iso_rmsd = pi? |
|
22 | 20 |
min_confs = flash? |
23 | 21 |
|
24 | 22 |
[Screening] # run_type-dependent |
... | ... | |
28 | 26 |
try_disso = No drugs, thanks |
29 | 27 |
sample_points_per_angle = which points? what angle? who am I? |
30 | 28 |
collision_threshold = don't have a collision insurance, sorry |
31 |
screen_rmsd = rmsd? Real Madrid Sudden Defeat, probably. |
|
32 | 29 |
collision_bottom_z = this must be twerking |
33 | 30 |
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34 | 31 |
[Refinement] |
Formats disponibles : Unified diff