Holm group

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31 to 40 of 254 Results

ff_dum.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 - 1.2 KB - MD5: 4aa80dade9033ea807e6a742923175ec GROMACS force field
ff_dum.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 - 1.2 KB - MD5: 4aa80dade9033ea807e6a742923175ec GROMACS force field
ffnonbonded.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 - 213.8 KB - MD5: a8d65cfc06dfc24e9b773b95288d68cf GROMACS force field
ffnonbonded.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 - 213.8 KB - MD5: a8d65cfc06dfc24e9b773b95288d68cf GROMACS force field
forcefield.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 - 176 B - MD5: 803c4caf8d5db2c45b917c052c625cf0 GROMACS force field
forcefield.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 - 176 B - MD5: 803c4caf8d5db2c45b917c052c625cf0 GROMACS force field
hydrogen_from_carbon.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 - 8.6 KB - MD5: 4ea07420cbbcdc453c865069c73322a7 Python script for converting trajectories
make_AAr.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 - 100 B - MD5: 499947faa1808af1defcfe3a0aab1ead Python script for converting trajectories
make_carbon_from_AA.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 - 232 B - MD5: 14b8d2abe4c42eebbd92d190809961f6 Python script for converting trajectories
make_carbon_from_com.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 - 163 B - MD5: 512ff09c2d21e1cf95939f93ecfc2733 Python script for converting trajectories

ff_dum.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 - 1.2 KB -

GROMACS force field

ff_dum.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 - 1.2 KB -

GROMACS force field

ffnonbonded.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 - 213.8 KB -

GROMACS force field