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19,581 to 19,587 of 19,587 Results
index_unmodified.ndx
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 2.2 MB - MD5: bbbb0ff29c5d2178a5b75e53d4a93ae7
Index file of the simulation box of the unmodified pore in .ndx format
min.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 985 B - MD5: 48bde63734885a85c1f7cd7b15ce37e6
Simulation parameter file of the energy-minimization step in .mdp format
nvt.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: bc54a46eeba897030515cb52d6fcb973
Simulation parameter file of the equilibration step in .mdp format
productmmc.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.3 KB - MD5: 18a33a934ad3e5dfecf098bf5c8f2dbf
Cartesian coordinates of a single product molecule in .gro format
run.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: 74ddd4b640613458c341b30275af14a1
Simulation parameter file of the production step in .mdp format
topol_modified.top
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 523 B - MD5: 21e8544cdb699e2b48effdff971a819c
Main topology file of the simulation box of the modified pore in .top format
topol_unmodified.top
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 465 B - MD5: 69c9a9ee3af0e5d460462349cdc5da15
Main topology file of the simulation box of the unmodified pore in .top format
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