Data directory

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The plop data directory contains files required for the execution of plop. Among these are:

  • params.pka - this file contains the pKa, difference in solvation energies between protonated and unprotonated states of each amino acid monomer state and the "adjustment term". It is essential for use in ICDA. For example, this contains the difference between the ACE-LYS-NMA and ACE-LYN-NMA minimized structures.
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