Author Topic: How to make snapshots  (Read 422 times)

imaeda

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How to make snapshots
« on: September 26, 2020, 09:23:48 AM »
Dear Dr. Dubbeldam,

I simulated the adsorption of gas to MOF following the tutorial.
I could obtain an adsorption isotherm, but I don't understand how to make snapshots showing how molecules are adsorbed in the pores of the MOF at each pressure.
How can I solve this problem?

Sincerely,
Imaeda

David Dubbeldam

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Re: How to make snapshots
« Reply #1 on: October 20, 2020, 05:54:17 PM »
You can use the 'Movie'-option to write snapshots at regular intervals to a pdb-file. That pdb-file can then be viewed with a molecular viewer.