Control file: Difference between revisions
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Navigation: [[Documentation]] / [[Control file]] | Navigation: [[Documentation]] / [[Control file]] | ||
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Calculations of free energies by PMFLib are | Calculations of free energies by PMFLib are controlled by a setup provided in the control file. This file contains general setup of PMFLib and setup for requested PMF methods. It can also contain a general definition of collective variables and collective variables, constraints, and restraints with an additional setup for individual PMF methods. | ||
* [[Control file format]] | * [[Control file format]] | ||