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gromacs_replicate_traj_analysis
gromacs_replicate_traj_analysis Public**Description:** A system with 5 replicates analyzed using GROMACS. This folder contains scripts to concatenate and analyze trajectories for each replicate, followed by plotting all replicates toge…
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free_energy_landscape_FEL_gromacs
free_energy_landscape_FEL_gromacs PublicCalculate and visualize the Free Energy Landscape (FEL) against Root Mean Square Deviation (RMSD) and Radius of Gyration (Rg) from molecular dynamics trajectories from GROMACS
Python
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dccm_from_gromacs_pdbs
dccm_from_gromacs_pdbs PublicThis pipeline calculatesDCCM from GROMACS trajectories to analyze correlated motions between residues. Developed by Prof. Abhijit Mitra's group (IIIT Hyderabad), it uses C for numerical computation…
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