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Publication Year: 2023

71 to 80 of 97 Results

analyze_data_angular_potential.py Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Python Source Code - 5.6 KB - MD5: 84efbaa3a2793f926e01fa6047ebf261 Python script for angular potential analysis
atomtypes.atp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 301 B - MD5: c6fe738b7f3659f09aa132111df8cd2e GROMACS force field file
buildall.sh Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Shell Script - 706 B - MD5: ceeeccefd808b3248ab276eae6ae72a0 Bash script to create GROMACS system
charmm.file Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 1.3 KB - MD5: 70d27688bcc077d18ba0275a63453dc8 GROMACS force field file
em.mdp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 1.1 KB - MD5: c01b23a2b5396e0a9cbf663f82a0ab8d GROMACS input file
endpatch.dat Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Fixed Field Text Data - 113 B - MD5: 9a9aed9bb925bdbe975a24cf33e10b10 GROMACS force field file
ffbonded.itp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" application/vnd.shana.informed.formtemplate - 2.2 KB - MD5: e749bf295b317dac2838a8edf497c46c GROMACS force field file
ffnonbonded.itp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" application/vnd.shana.informed.formtemplate - 640 B - MD5: e70ea3433f5a3f6e17b232ce8c379700 GROMACS force field file
forcefield.itp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" application/vnd.shana.informed.formtemplate - 147 B - MD5: a7ce2f44d558912ecc10327d2501f952 GROMACS force field file
input_parameters.txt Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Plain Text - 144 B - MD5: 74d18949cde9bd06231325e0ae46bcef Input parameters for Espresso simulations

analyze_data_angular_potential.py

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Python Source Code - 5.6 KB -

Python script for angular potential analysis

atomtypes.atp

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Unknown - 301 B -

GROMACS force field file

buildall.sh

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Shell Script - 706 B -

Bash script to create GROMACS system

charmm.file

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Unknown - 1.3 KB -

GROMACS force field file

em.mdp

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Unknown - 1.1 KB -

GROMACS input file

endpatch.dat

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Fixed Field Text Data - 113 B -

GROMACS force field file

ffbonded.itp

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

application/vnd.shana.informed.formtemplate - 2.2 KB -

GROMACS force field file

ffnonbonded.itp

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

application/vnd.shana.informed.formtemplate - 640 B -

GROMACS force field file

forcefield.itp

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

application/vnd.shana.informed.formtemplate - 147 B -

GROMACS force field file

input_parameters.txt

Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Plain Text - 144 B -

Input parameters for Espresso simulations

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