density along x direction

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1

What about putting all of the CO2 carbon atoms in a group, and then using fix ave/spatial?

2

Or do some post processing based on the trajectory. It can be useful when I am using different MD packages and would like to compare the results.

And, I prefer mdanalysis code.

Bests,
Yi

3

Thank you for your reply.

Or do some post processing based on the trajectory. It can be useful when I am using different MD packages and would like to compare the results.

And, I prefer mdanalysis code.

Bests,
Yi