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RASPA => General => Topic started by: antoine on February 10, 2025, 02:16:11 PM

Title: Question about raspa
Post by: antoine on February 10, 2025, 02:16:11 PM
Hello everyone, I hope you are doing well. I want to start using RASPA for GCMC simulations and would like to know if RASPA supports defining specific regions for insertion, deletion, and Monte Carlo moves. Additionally, does it support rigid molecules, such as the SPC water model in my case?
Title: Re: Question about raspa
Post by: David Dubbeldam on February 26, 2025, 03:52:26 PM
Yes, rigid molecules are supported. Also, per component you can block or allow certain regions for insertion/deletion.