temperature for the collective variables

Francesco francesc... at gmail.com
Fri Jun 6 18:39:35 CEST 2008


Hi to all,

I'm trying to do a metadynamics study of the reaction Cl-   CH3Cl, in
a NVT ensemble. I don't know what to do exactly with the temperature
in __ROOT__%MOTION%FREE_ENERGY%METADYN.

Should I set the same temperature that I put in the shell __ROOT__
%MOTION%MD ?

Thanks in advance


Ciao
Francesco


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