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161 to 170 of 254 Results

monomer.dat Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Fixed Field Text Data - 159 B - MD5: 13212eb7abfe94b70dddaa64b0a25e8c GROMACS force field file
npt1000.mdp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 2.6 KB - MD5: a63c05a23a37b59ac7660d52b92faa36 GROMACS input file
npt.mdp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 2.6 KB - MD5: 54b040cdb9ce956fdbbba33293d53a33 GROMACS input file
nvt.mdp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 2.3 KB - MD5: cb17b8953667ff518d68f0c49962a807 GROMACS input file
peg.itp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" application/vnd.shana.informed.formtemplate - 3.8 KB - MD5: dbad88c084fca0317e10af3c98c54e48 GROMACS force field file
README.md Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Markdown Text - 5.5 KB - MD5: 086ff41f176ff1ee54a2757c8613fced Instruction for using this repository
run.mdp Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Unknown - 2.6 KB - MD5: 8d231df4fdee877dac0014a7492fccc8 GROMACS input file
run_with_condor_coarse_grained.sh Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Shell Script - 1.7 KB - MD5: 39a29f3ba3ed379fb221a88abd03d8bf Bash file to run Espresso simulations on condor
run_with_condor_coarse_grained_viscosity_angular_potential.sh Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Shell Script - 1.8 KB - MD5: b1fac1266d527e59dadaa97d0ccc104e Bash file to run Espresso simulations
simulate_peg_coarse_grained.py Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Python Source Code - 9.7 KB - MD5: e0f3d02c07a9cf67a26398afd002a719 Python script for Espresso simulations

monomer.dat

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

Fixed Field Text Data - 159 B -

GROMACS force field file

npt1000.mdp

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

Unknown - 2.6 KB -

GROMACS input file

npt.mdp

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

Unknown - 2.6 KB -

GROMACS input file

nvt.mdp

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

Unknown - 2.3 KB -

GROMACS input file

peg.itp

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

application/vnd.shana.informed.formtemplate - 3.8 KB -

GROMACS force field file

README.md

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

Markdown Text - 5.5 KB -

Instruction for using this repository

run.mdp

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

Unknown - 2.6 KB -

GROMACS input file

run_with_condor_coarse_grained.sh

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

Shell Script - 1.7 KB -

Bash file to run Espresso simulations on condor

run_with_condor_coarse_grained_viscosity_angular_potential.sh

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

Shell Script - 1.8 KB -

Bash file to run Espresso simulations

simulate_peg_coarse_grained.py

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

Python Source Code - 9.7 KB -

Python script for Espresso simulations

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