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MD-permeation: a FORTRAN code to analyze MD simulation trajectories and identify permeation events for water molecules.

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MD-permeation

MD-permeation is a FORTRAN code to analyze trajectories of Molecular dynamics simulations and identify water permeation events in lipid bilayers.

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Carlos R. S. Camilo, José R. Ruggiero, and Alexandre S. de Araujo
Department of Physics, IBILCE, São Paulo State University (UNESP)

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If you use MD-permeation in your research, we ask that you cite the following article:

Camilo, C.R.d.S., Ruggiero, J.R. & de Araujo, A.S. A Method for Detection of Water Permeation Events in Molecular Dynamics Simulations of Lipid Bilayers. Braz J Phys 52, 62 (2022). https://doi.org/10.1007/s13538-022-01071-1

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MD-permeation: a FORTRAN code to analyze MD simulation trajectories and identify permeation events for water molecules.

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