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I have a problem regarding psi4 and ffparam. I followed the instructions that the ffparam tutorial suggests, however I cannot create psi4 files or execute psi4 runs, because of the warning Chem module not found or RDKit not found. I have made sure to follow the instructions, but I cannot complete my work. Is there any other useful tutorial or more updated or even some other way to optimize geometry on str files produced from CGenFF with high penalties?
Hello Konstantina I am exhibiting this same issue because of my Mac Version, please let me know if you resolved this issue, thanks Joel :)
Hi Justin thank you for this link:)