Asset Details

PROGRAM NAME: Advanced Computing Solutions for Cancer (JDACS4C)
STUDY NAME: JDACS4C Molecular level Pilot: KRAS4b Protein Modeling using Multiscale Machine-Learned Modeling Infrastructure (MuMMI)
ASSET NAME: MuMMI Splash Run 2 for KRAS4b Protein Modeling
ASSET PATH: /NCI_DOE_Archive/JDACS4C/JDACS4C_Pilot_2_MuMMI_KRAS4b_Protein_Modeling_Campaign_1/mummi_kras4b_campaign1_042018
Asset Identifier mummi_kras4b_campaign1_042018
Asset Type Dataset
Platform Version None
Asset Name MuMMI Splash Run 2 for KRAS4b Protein Modeling
Asset Description MuMMI Splash Run 2 simulations for Campaign 1. This contains about 2089718 uncompressed files, totaling about 145 TB. The counts represent the files in a state that is approximate of the state found during a simulation campaign. The data set contains simulation data with three types of patch tarballs: 1) xtc.tar.gz, a tarball that contains the system tpr file and associated xtc trajectory file. 2) ddcmd.tar.gz, a tarball containing all ddcMD inputs used in the simulation, itp parameter files, snapshots to restart the simulation, and analysis/position data. 3) Createsims.tar.gz, a tarball of the system (including intermediate files) as it was constructed by the automated system construction in MuMMI.

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