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Use of dreiding force field
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Topic: Use of dreiding force field (Read 1229 times)
debelan1
Newbie
Posts: 2
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
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David Dubbeldam
Full Member
Posts: 230
Re: Use of dreiding force field
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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.
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Use of dreiding force field