Author Topic: Use of dreiding force field  (Read 334 times)

debelan1

  • Newbie
  • *
  • Posts: 2
    • View Profile
Use of dreiding force field
« 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

David Dubbeldam

  • Full Member
  • ***
  • Posts: 176
    • View Profile
Re: Use of dreiding force field
« Reply #1 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.