fes from metadynamics

sam moors samm... at gmail.com
Fri Jun 8 15:05:33 CEST 2012


Hi,

I would like to generate a 1D fes from a 2D metadynamics simulation (2 
collective variables).
However, with the fes.sopt program, I get different results depending on 
the value of the  -ndim option (1 or 2).
What is the difference between the free energy profiles generated with 
these two values, and which is the correct one?

Thanks in advance,

Sam

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