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Compilation of different scripts used for my MD analysis

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Scripts

Recopilation of different scripts used for my MD analysis

AnalysisCpptraj

Contains bash scripts with cpptraj commands inside Parameters to be passed are name conventions of my files

AnalysisMDtraj

Python scripts to analyze MD data. Automatize as well the production of plots.

MDinputs

Inputs for the MD simulations and PBS/Bash scripts to run the jobs in HPC or local machines with GPUs

MSManalysis

Starting to use Python scripts to implement MSM analysis on MD data using MSMbuilder/MDtraj

Rplots

R commands to produce plots from analysis of MD data usually coming from cpptraj analysis.

misc

Dotfiles or other stuff that doesn't fit in any of the categories above

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