From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Fri Feb 21 2014 - 12:38:25 CST
On 02/21/2014 09:11 AM, Axel Kohlmeyer wrote:
> of course, you have to look up details in the force field
> documentation, because you may have to also change the force field
> type and (partial) charge of neighboring atoms.
Yeah, depending on details we haven't been given, this last part can get
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