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RASPA => Input files and parameters => Topic started by: chenglong on May 13, 2021, 02:44:28 PM

Title: Error - mixed gas adsorption
Post by: chenglong on May 13, 2021, 02:44:28 PM
Dear Dubbeldam,

I am trying to calculate mix gas adsorption.

However, he reported the following error:"Creating molecules for more systems than the maximum allowed: 1". Can you tell me how to solve this problem?

Thanks a lot!
Kind regards
Long Cheng
Title: Re: Error - mixed gas adsorption
Post by: David Dubbeldam on June 08, 2021, 02:11:36 PM
Input looks, at first sight, okay to me. Remove as much as possible, i.e. component 1-3 etc, and check if it works. Then from add the components one by one to see where it goes wrong.
In general, change stuff in small steps, otherwise it is harder to debug.