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uppittu11 / analysis

Analysis scripts for molecular dynamics simulations of stratum corneum lipid multilayers.
MIT License
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Vectorized distance calculation #18

Open uppittu11 opened 5 years ago

uppittu11 commented 5 years ago

implement a vectorized nearest image distance calculation for RDFs and compare speed with mdtraj.

uppittu11 commented 5 years ago

Also add second and third images to prevent RDF plots from "falling off" at larger distances.