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General organization
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MDynaMix Package version 5.3.0
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The molecular structure (.smol)
Contents
Tranal
utility
Subsections
General organization
tranal_base: reading trajectories
Computation of the electron density and electrostatic potential in bilayers: bileldens.f
Dielectric constant: diel.f
Diffusion: diffus.f
Dryrun: dryrun.f
Hydrogen bonds: h-bonds.f
Lateral diffusion: latdiff.f
Order parameters: order.f
Radial distribution functions: rdf.f
Gyration radius and end-to-end distance: Rg.f
Spatial distribution functions: sdf.f
Distribution of torsion angles: torsion.f
Ramachandran plot for a pair of torsion angles: torsion2.f
Residence time calculation: restime.f
Time correlation functions: trtcf.f
