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
Creators
- 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)
Name | Size | Download all |
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md5:728d1366ea96a615746bc3f2e27f1343
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923 Bytes | Download |