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[kdong]

Hi everyone,

Is the unit of the type DIST of CVs in metadynamics "atomic unit" or "Angstroms" when I set up the Angstroms in &SYSTEM...&END?

When I defined the type COORD of CVs, how to determine the parameters of k is the parameter k which determines the steepness of the decay and d0 which is the reference distance? 

Is the unit of the parameter d0 also "atomic unit" when I set up the Angstroms in &SYSTEM...&END?

Best Regards

kdong

2007-12-05 



kdong 
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