Published October 13, 2020 | Version 1
Software Open

Script to count the water molecules in an ion channel pore (or any pore) along a MD trajectory

  • 1. universidad Catolica del Maule
  • 2. Universidad Autónoma de Chile

Contributors

Work package leader:

Description

Here we use a tcl script to count the water molecules in an ion channel pore (or any pore) along a trajectory from AMBER, Desmond or NAMD. The pore of the ion channel must be aligned along the z-axis. The selection must be a cylinder.

Usage in VMD´s Tk console:

> play WatersCount.tcl

Files

Files (923 Bytes)

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md5:728d1366ea96a615746bc3f2e27f1343
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