How to restart CPMD Metadynamics on NWChem?
Clicked A Few Times
1:01:11 PM PDT - Fri, May 17th 2019
Hello,

I am trying to restart my CPMD Metadynamics by changing "start" to "restart" in the input file, but instead of starting where it left off, my input file starts from the beginning (equilibration period). I still have my .db file in the permanent directory, but it overwrites it. I didn't find anything in the documentation about this.

What is the correct protocol for restarting a CPMD Metadynamics run in NWChem?

Thanks


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