Re: [AMBER] boron nitride

From: Erdem Yeler <erdemyeler.gmail.com>
Date: Sun, 20 Feb 2022 02:02:42 +0300

I used boron parameters from these articles results were very close to
experimentals (there is no B-N bond but it may help you):
https://www.sciencedirect.com/science/article/abs/pii/S0009261421003390
https://www.mdpi.com/1420-3049/25/9/2196

David A Case <david.case.rutgers.edu>, 1 Şub 2022 Sal, 16:20 tarihinde şunu
yazdı:

> On Tue, Feb 01, 2022, Victor Nazarychev wrote:
> >
> >Is it possible to parametrize boron nitride particles in the GAFF force
> >field?
>
> Not at present. In preparation is an expansion of the elements covered by
> GAFF, which will include boron. But that's not ready yet.
>
> ....dac
>
>
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Received on Sat Feb 19 2022 - 15:30:03 PST