Lysozyme in water full
Lysozyme in water full COMPSs application
Publisher
Barcelona Supercomputing Center
License
Apache-2.0
Contents
lysozyme_in_water_full.py
Size: 8973
Format: text/plain
complete_graph.svg
Size: 31175
Format:
image/svg+xml
Scalable Vector Graphics
lysozyme_in_water_full_no_mpi.py
Size: 8868
Format: text/plain
lysozyme_in_water.py
Size: 7601
Format: text/plain
lysozyme_in_water_full_singularity.py
Size: 10194
Format: text/plain
App_Profile.json
Size: 3095
Format:
application/json
JSON Data Interchange Format
compss_submission_command_line.txt
Size: 434
Format: text/plain
FULL.yaml
Size: 600
Format:
YAML
YAML
launch_full.sh
Size: 1558
energy.selection
Size: 3
genion.group
Size: 3
ions.mdp
Size: 1044
minim.mdp
Size: 971
1aki.pdb
Size: 109917
1u3m.pdb
Size: 2998215
1xyw.pdb
Size: 2918025
1aki.gro
Size: 88246
1aki.top
Size: 577599
1aki_em.tpr
Size: 1280044
1aki_em_energy.edr
Size: 8976
1aki_ions.tpr
Size: 1279304
1aki_newbox.gro
Size: 88246
1aki_potential.png
Size: 7939
1aki_potential.xvg
Size: 2166
1aki_solv.gro
Size: 1525186
1aki_solv_ions.gro
Size: 1524475
1u3m.gro
Size: 82046
1u3m.top
Size: 537933
1u3m_em.tpr
Size: 1416272
1u3m_em_energy.edr
Size: 8976
1u3m_ions.tpr
Size: 1415196
1u3m_newbox.gro
Size: 82046
1u3m_potential.png
Size: 7464
1u3m_potential.xvg
Size: 2159
1u3m_solv.gro
Size: 1837046
1u3m_solv_ions.gro
Size: 1836965
1xyw.gro
Size: 80112
1xyw.top
Size: 524009
1xyw_em.tpr
Size: 1408872
1xyw_em_energy.edr
Size: 8780
1xyw_ions.tpr
Size: 1407844
1xyw_newbox.gro
Size: 80112
1xyw_potential.png
Size: 8525
1xyw_potential.xvg
Size: 2144
1xyw_solv.gro
Size: 1845237
1xyw_solv_ions.gro
Size: 1845066
POTENTIAL_RESULTS.png
Size: 4308
compss-3844353.out
Size: 4543
Format: text/plain
compss-3844353.err
Size: 100
Format: text/plain