How to custom Probe molecule on command-line utility

Started by Jamy, October 14, 2021, 09:32:00 AM

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Hi, I'm using a command-line utility to compute the gravimetric surface area of the material.

I'd like to specify the type of probe molecule but I don't know how to do it? Can anyone tell me how can I do this?

David Dubbeldam

Currently, you can not change it. In a future version we will add that to the command-line utility.