Path |
Digest |
Size |
ENPMDATests/__init__.py |
sha256=0pfwNIVI0suBtDydUZ5Qmc0IhItWtDWKBLU-SXTs35s
|
36 |
ENPMDATests/datafiles.py |
sha256=2gTP4w0JCrtuWEqB0o4OnnVa7HoxPrXdWya_9zeM2hE
|
604 |
ENPMDATests/test_ENPMDA.py |
sha256=ut5NMRkMRVxoTYFLzuvl7DOu1saE6lWmkGZIYBNbUMM
|
5273 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep1/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep1/md.xtc |
sha256=17jtX-71UjcFez88uRvM5tteLgS5dxozrVO8Qt8A9ng
|
258424 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep1/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep2/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep2/md.xtc |
sha256=LAWJQWC-qohc__HvLZoi0S8FLU22RJJPoS3QR1ugPSc
|
258492 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep2/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep3/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep3/md.xtc |
sha256=fIsg5XIijFrH4qZMxEsbZqCyavL5l1GL-2XDU2oRFj8
|
258216 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep3/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep4/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep4/md.xtc |
sha256=N9yYZtY3NUUgsfsm1GT7vYqmzv7gpbw4rFamSS0wiB0
|
258792 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep4/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep5/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep5/md.xtc |
sha256=c03qqlVTVbV4JA7UwYqfIRbUywhurfTvSXLKh-lbDwU
|
258368 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep5/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep6/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep6/md.xtc |
sha256=by4bt_Bw7h7Y2YHBM0vb9slyeTGO2Hamq_9I53UsTCw
|
258460 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep6/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep7/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep7/md.xtc |
sha256=eOXnACnTZlqB28ZH19acP4B3cRFz3LfmPmHkR--PQlI
|
258016 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep7/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep8/md.tpr |
sha256=pOUGtr7aIJ70_6WIHbA1j0sNyvi4fGi7qp5wsJtltkw
|
96148 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep8/md.xtc |
sha256=TNxWCSEiZ8GJl6RLesuVvpVgIzmpgo9SEHRnf_Aj6ac
|
258664 |
ENPMDATests/datafile/ensemble_AlaDipeptide/rep8/start.pdb |
sha256=oymYrF-FIOtc9L8nNgdWgKzxeOHmVHFX9-zhVHhmB3c
|
270677 |
ENPMDATests-0.5.0.dist-info/METADATA |
sha256=VGLsVBXgMKkm6GEETnt_GyRuOJ6NWxgZJb34ezFOEsU
|
857 |
ENPMDATests-0.5.0.dist-info/WHEEL |
sha256=z9j0xAa_JmUKMpmz72K0ZGALSM_n-wQVmGbleXx2VHg
|
110 |
ENPMDATests-0.5.0.dist-info/top_level.txt |
sha256=ZN76alSCy3WPHRIC6bwWpWTfYQeFdExxV0v7cxcWQNg
|
12 |
ENPMDATests-0.5.0.dist-info/RECORD |
— |
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