SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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421 to 430 of 793 Results
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
merge_traj_file_angular_potential.sh
Mar 13, 2023 - Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"
Shell Script - 678 B - MD5: 77c6285f231b79b7867ec6d3b2451da2
Bash script to merge trajectory
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
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