I am conducting a molecular dynamics simulation of a membrane protein channel, how can I calculate the diameter change of the pore which is critical for the transportation of ions during the simulation?
Hi Farzane,
trj_cavity can be useful for that analysis.
https://sourceforge.net/projects/trjcavity/
Caver: caver.cz
Martiniano Bello and Martin Klvana thank you for your replies.
HOLE program can be used to analyse the pore diamter of a channel.
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