[CP2K-user] [CP2K:16635] Lennard-Jones Potential

[Thomas Kühne]

Dear Anjana V M, 

you can specify the LJ parameters of your force field at: 
FORCE_EVAL <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / MM <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM.html> / FORCEFIELD <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD.html> / NONBONDED <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED.html> / LENNARD-JONES <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/LENNARD-JONES.html>

Best, 
Thomas Kühne

> Am 18.02.2022 um 07:11 schrieb 'ANJANA V M' via cp2k <cp2k at googlegroups.com>:
> 
> Hi Experts,
> Can anyone help to calculate the Lennard-Jones potential terms for CaCO3-Water system?
> 
> 
> 
> Thanks
> Anjana V M
> 
> -- 
> 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 <mailto:cp2k+unsubscribe at googlegroups.com>.
> To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/8c1ee3f7-641d-4bc2-9528-9d07a0c8b5f0n%40googlegroups.com <https://groups.google.com/d/msgid/cp2k/8c1ee3f7-641d-4bc2-9528-9d07a0c8b5f0n%40googlegroups.com?utm_medium=email&utm_source=footer>.



==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726

-- 
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/EE06F137-75BA-40CE-922C-36A62F2AAEF6%40gmail.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220224/c769d2cb/attachment.htm>