Src/Abl experiment - Githubissues

choderalab / msm-pipeline

A pipeline for MSMs.

GNU Lesser General Public License v3.0

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Src/Abl experiment #23

Open jchodera opened 8 years ago

jchodera commented 8 years ago

Just opening an issue to make sure we don't forget about the most important experiment:

Our immediate goal is to run Src and Abl from both ensembler- and non-ensembler-seeded structures.

	Abl	Src
single structure	10472	10471
ensembler	11400	11401

maxentile commented 8 years ago

Currently running on the cluster:

msm-pipeline 'abl_10472_snapshot/*.h5' 'abl_10472' 1000
msm-pipeline 'abl_11400_snapshot/*.h5' 'abl_11400' 1000
msm-pipeline 'src_10471_snapshot/*.h5' 'src_10471' 1000
msm-pipeline 'abl_11401_snapshot/*.h5' 'abl_11401' 1000

jchodera commented 8 years ago

Awesome!