[CP2K-user] [CP2K:17422] Molecular Dynamics using CP2K

[Himangshu Pratim Bhattacharyya]

Dear Niharika!

It's great to hear that you are working on Mn (II) complex using CP2K. I
hope experts are here in the platform to help you out.

Thanks in advance
Himagshu

On Sat, 30 Jul 2022, 5:15 pm Niharika Keot, <niharikakeot123 at gmail.com>
wrote:

> Dear All,
>
> Good afternoon!
>
> I am working on Mn(II)-complexes. As I am very new to Molecular Dynamics
> simulations.  Can we do Molecular dynamics simulations of these complexes
> using the CP2K software package? how can we determine the Lennard Jones
> potential and the epsilon, sigma, and RCUT value? Can you please help me
> out?
>
> Thank you in advance!
>
> Regards
> Niharika Keot
> IIT Guwahati
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp2k+unsubscribe at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/af1cecb3-713d-4841-9ecb-3f8dbb84f37cn%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/af1cecb3-713d-4841-9ecb-3f8dbb84f37cn%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CAAEZoRxMss%3DEDR4Zpp2wqm9bowssL2DUUQz9iC9givBA5i0-Tg%40mail.gmail.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220730/111c3ae0/attachment-0001.htm>