How to set a suitable value for the fictitious mass (M) and spring constant of the harmonic restraining potential (ka) in extended metadynamics Lagrangian

[ning.zh... at gmail.com]

Hello everyone,

<https://lh3.googleusercontent.com/-2qt2WaCFqDg/VkxftmZgY9I/AAAAAAAAAAg/XNVlcAzTAcc/s1600/eq.jpg>
I am  performing metadynamics to calculate the reation pathway of Ag-Cl 
aqueous system. I am confused to choose suitable values for the fictitious 
mass and spring constant, i.e., the M*i* and the k*i* in the second term 
and the third term in the equation above, for different system in the 
METAVAR section of input file (see below Bold). How can I choose these 
values for different systems? Are there any literature about this? Any 
suggestions are welcome.

Thanks.

Ning 


&METAVAR
        *LAMBDA  0.2*
*        MASS  10.*
        SCALE 0.03
        COLVAR 1
        &WALL
         POSITION 1.0
         TYPE QUARTIC
         &QUARTIC
          DIRECTION WALL_PLUS
          K  100.0
         &END
        &END
      &END METAVAR
      
      &METAVAR
        *LAMBDA  0.2*
*        MASS  10.*
        SCALE 0.08
        COLVAR 2
      &END METAVAR
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