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RASPA => General => Topic started by: mms on November 28, 2024, 09:27:52 AM

Title: Monte carlo on biomolecules
Post by: mms on November 28, 2024, 09:27:52 AM
Hi Prof. Dubbeldam,

I am new to RASPA, so so please forgive any oversights and ignorance from my part.

Can raspa do monte carlo simulations on biomolecules like protein or rna? I want to study the binding of ions using Monte carlo. If not, can you please suggest me another software?
Title: Re: Monte carlo on biomolecules
Post by: David Dubbeldam on January 29, 2025, 07:23:07 PM
No, that is not possible. Usually docking software is used for that. I would look into 'gromacs' for biomolecules as a start.