TWN-extraction

TWN-extraction calculate water networks using sum of van der Waals force and electrostatic force




If you don't know input format, refer this example file formats
example input files1 (MD trajectories - all system)
example input files2 (MD trajectories - only protein)
example output files (TWN)






Run TWN-extraction

selection residue (recommend hinge - e.g. IRAK4-265, ITK-438)


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