ReaxFF and REBO

From: Mikhail Suyetin (msuyetin_at_gmail.com)
Date: Wed Sep 12 2012 - 04:46:44 CDT

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Dear All,

I would like you to ask is it possible to implement ReaxFF and/or REBO
FF to NAMD and perform calculations? I know Gromacs has ReaxFF.

Also, I would to ask are there any interaction parameters between W
and S implemented in ReaxFF and/or REBO FF which allow bond
forming/breaking during molecular dynamics simulations?

Thank you.
Mikhail

• Next message: Raul Araya: "CHARMM parameters and topology for YO-PRO and/or Lucyfer Yellow"
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• Reply: Axel Kohlmeyer: "Re: ReaxFF and REBO"
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