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51 to 60 of 264 Results
prod.mdp
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 438 B - MD5: b24ea6e09c9bc8a233b6aca6ea1013ed
GROMACS input
propane.itp
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
application/vnd.shana.informed.formtemplate - 4.9 KB - MD5: b2a30343ff9f1874d553ff354bd3a13f
GROMACS force field
propane_structure.py
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Python Source Code - 4.0 KB - MD5: 95500880e7b4dd75ccf1bc8f60f8c303
Python script for converting trajectories
README.md
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Markdown Text - 664 B - MD5: d5c8218f75cd188f29cb9496263e8152
Readme file
README.md
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Markdown Text - 1.2 KB - MD5: ba519fb564e38e7884de9001387c2769
Readme file
topol.top
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 111 B - MD5: 61389efd62a1a5a2c40915774f80b8a1
Trajectory sample
topol.top
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 108 B - MD5: 59e2a25bc02d6b79adbd0e304fbe3c32
Trajectory sample
topol.top
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 111 B - MD5: 61389efd62a1a5a2c40915774f80b8a1
GROMACS topology
topol.top
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 108 B - MD5: 59e2a25bc02d6b79adbd0e304fbe3c32
GROMACS force field
UA.gro
Oct 16, 2024 - Scripts and data for "Calculation of 1H-NMR relaxation rates from a model united-atom alkanes using reverse coarse-graining"
Unknown - 43.7 KB - MD5: cb138c761a6220b9c4f6dfef0e095f00
Trajectory sample
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