Generating Adsorbate Density Profiles from GCMC Restart Files in RASPA

[had-sham]

Hi all,

I understand that grids are used to speed up GCMC simulations and for visualization purposes. I have already run some GCMC simulations without energy grids, and I have the snapshots.
Is it possible to use the Restart file (final configuration) to perform a new GCMC run with grids enabled, in order to obtain adsorbate density plots?
Alternatively, is there a way to generate density plots from the final configuration of a GCMC run that was performed without grids?

Best regards,

[Spencered]

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[EulaVikum]

Interesting point about grids in GCMC! I've been exploring similar simulation techniques myself. Are you finding that using grids noticeably improves performance? Perhaps it's like solving Wordle Unlimited – you can brute force it, but a smart strategy (like grids) can dramatically speed things up. I'm curious how your snapshots compare with and without the grid implementation. Thanks for sharing!