Index of /examples/OPTIM/ubiquitin.GPU/QCI

[ICO]NameLast modifiedSizeDescription

[PARENTDIR]Parent Directory  -  
[   ]start2022-12-22 22:55 104K 
[   ]slurm-24560.out2022-12-23 10:47 580  
[   ]sbatch.OPTIM2022-12-23 10:41 1.7K 
[   ]perm.allow2022-12-22 23:01 1.6K 
[   ]path.xyz2022-12-23 10:47 275K 
[   ]path.info2022-12-23 10:47 312K 
[   ]path.1.xyz2022-12-23 10:47 275K 
[   ]pairs.newconnect2022-12-23 10:47 21  
[   ]output2022-12-23 10:47 7.8M 
[   ]odata2022-12-23 11:01 1.0K 
[   ]nodes.info2022-12-23 10:41 59  
[   ]min.rst2022-12-22 23:01 0  
[   ]min.out2022-12-23 10:41 7.3K 
[   ]min.in2022-12-22 22:56 143  
[   ]loalign2022-12-23 10:41 279K 
[   ]linear.xyz2022-12-23 10:41 1.8M 
[   ]int.xyz2022-12-23 10:45 1.8M 
[   ]int.EofS2022-12-23 10:45 500  
[   ]initial_cis_trans_states2022-12-22 23:01 0  
[   ]initial_chiral_states2022-12-23 10:41 9.3K 
[   ]finish2022-12-22 22:55 104K 
[   ]coords.prmtop2022-12-22 22:56 581K 
[   ]coords.inpcrd2022-12-22 22:56 50K 
[   ]GPU_debug_out2022-12-23 10:47 5.9M 
[   ]EofS.12022-12-23 10:47 171  
[   ]EofS2022-12-23 10:47 153  

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