Name | Last modified | Size | Description | |
---|---|---|---|---|
Parent Directory | - | |||
submit_gpu.sh | 2023-11-10 13:33 | 839 | ||
start | 2023-11-10 13:33 | 308K | ||
slurm-28801.out | 2023-11-10 13:35 | 260 | ||
sbatch.optim | 2023-11-10 13:33 | 1.3K | ||
perm.allow | 2023-11-10 13:33 | 958 | ||
path.info | 2023-11-10 13:35 | 0 | ||
output | 2023-11-10 13:35 | 94K | ||
odata | 2023-11-10 13:34 | 474 | ||
nodes.info | 2023-11-10 13:35 | 63 | ||
min.rst | 2023-11-10 13:35 | 0 | ||
min.out | 2023-11-10 13:35 | 7.0K | ||
min.in | 2023-11-10 13:33 | 200 | ||
initial_cis_trans_states | 2023-11-10 13:35 | 11K | ||
initial_chiral_states | 2023-11-10 13:35 | 15K | ||
frozen | 2023-11-10 13:33 | 21K | ||
finish | 2023-11-10 13:33 | 308K | ||
coords.prmtop | 2023-11-10 13:33 | 1.8M | ||
coords.inpcrd | 2023-11-10 13:33 | 148K | ||