GitHub - devalab/BenchIDPs: Codes related to simulation and analyses of intrinsically disordered proteins with different combinations of force field and water models.

devalab / BenchIDPs Public

Codes related to simulation and analyses of intrinsically disordered proteins with different combinations of force field and water models.

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Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
RMSD		RMSD
RMSF		RMSF
Rg		Rg
SASA		SASA
a99SBdisp.ff		a99SBdisp.ff
amber14sb.ff		amber14sb.ff
amber99sb-ildn_dyes.ff		amber99sb-ildn_dyes.ff
amber99sb.ff		amber99sb.ff
charmm36-jul2022.ff		charmm36-jul2022.ff
charmm36IDPSFF.ff		charmm36IDPSFF.ff
fractional_deviation		fractional_deviation
j_coupling		j_coupling
mdp		mdp
mdp_high_freq		mdp_high_freq
msd_calculation_script		msd_calculation_script
2d-density.py		2d-density.py
rg_rmsd_E2E_P_SASA_2d_3d_data.tcl		rg_rmsd_E2E_P_SASA_2d_3d_data.tcl
system_setup_simulation_analysis.sh		system_setup_simulation_analysis.sh