iRASPA Community

RASPA => Input files and parameters => Topic started by: debelan1 on February 17, 2021, 05:53:36 PM

Title: Use of dreiding force field
Post by: debelan1 on February 17, 2021, 05:53:36 PM
Has anyone had the opportunity to use the dreiding force filed with RASPA?  If so, would it be possible to post some simple examples of your input files?  Many thanks!
Anthony
Title: Re: Use of dreiding force field
Post by: David Dubbeldam on June 08, 2021, 02:26:43 PM
The DREIDING force field uses specific functional forms and parameters. You can look these up and use (most of) these in RASPA.