[DFTB-Plus-User] MD simulation with Plumed

[Bálint Aradi]

Dear Simone,

I have to admit, I have never tried to run restarted simulations with
PLUMED. However, it seems, that PLUMED has a kind of restart option:

https://www.plumed.org/doc-v2.5/user-doc/html/_r_e_s_t_a_r_t.html

Please check, whether it is the right one for you. I'd test, whether
restarting the DFTB+ MD on the DFTB+ side as usual and adding the
RESTART option into the PLUMED it makes it work.

Best regards,

Bálint


On 09.06.20 14:03, Simone Ghidinelli wrote:
> Dear developers/users,
> 
> I ran a metadynamics simulation in DFTB+ with Plumed.
> 
> I would like to restart the simulation with some changes in the parameters of the Gaussian.
> 
> Is it possible to restart the simulation without losing the potential already deposited? 
> 
> Thanks
> 
> Best regards,
> 
> Simone
> 
> 
> 
> Informativa sulla Privacy: http://www.unibs.it/node/8155
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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