Questions tagged [collective-variable]
A collective variable is a function of the particle positions or other collective variables. It is usually used to bias a simulation along a particular dimension.
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What is the largest number of collective variables used in a metadynamics simulation?
Metadynamics is usually used to construct 1D or 2D free-energy surfaces. There seem to be a few examples for 3D free-energy surfaces:
Paper 1: Exploring the Free Energy Landscape of Solutes Embedded ...
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Collective variable to determine the number of bonds in the shortest Hydrogen bond wire [closed]
I am trying to program a collective variable in PLUMED which is basically the number of bonds in the shortest Hydrogen bond wire in a system of water molecules. I plan to use the HBond_Matrix from ...
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