GitHub - angryseptagon/Molecular_Dynamics_Misc._scripts: two different scripts I used to perform various molecular dynamics tasks. measure.py measures the angle between helices of specific GPCR receptors. thermal_mmGBSA measures energy between a ligand and protein, it is basically a bugfix of schrodinger software. it fixes the bug where a transmembrane protien with lipids is not calculated correctly because lipids are not removed from calculation.

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two different scripts I used to perform various molecular dynamics tasks. measure.py measures the angle between helices of specific GPCR receptors. thermal_mmGBSA measures energy between a ligand and protein, it is basically a bugfix of schrodinger software. it fixes the bug where a transmembrane protien with lipids is not calculated correctly b…