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 Results for DC.creator="C." AND DC.creator="B." AND DC.creator="Post" in section 20.2.3 of volume F
Experimental restraints in the energy function
Post, C. B. and Dadarlat, V. M.  International Tables for Crystallography (2012). Vol. F, Section 20.2.3.3, pp. 643-644 [ doi:10.1107/97809553602060000878 ]
Experimental restraints in the energy function 20.2.3.3. Experimental restraints in the energy function For the purpose of structure determination, the potential-energy function used for molecular-dynamics calculation incorporates the information from experimental data in the form of non-physical restraint terms. These restraint terms, introduced to bias the conformational sampling ...

Particle mesh Ewald
Post, C. B. and Dadarlat, V. M.  International Tables for Crystallography (2012). Vol. F, Section 20.2.3.2, p. 643 [ doi:10.1107/97809553602060000878 ]
Particle mesh Ewald 20.2.3.2. Particle mesh Ewald In an MD simulation, the accurate and rapid calculation of long-range electrostatic interactions is a central issue for the correct physical representation of the system. The Coulombic potential [first term of equation (20.2.3.3)] has been used in most cases, but the Coulombic interactions ...

Empirical energy
Post, C. B. and Dadarlat, V. M.  International Tables for Crystallography (2012). Vol. F, Section 20.2.3.1, pp. 642-643 [ doi:10.1107/97809553602060000878 ]
... are force constants, and are equilibrium values for bond lengths, b, and angles, [theta], respectively, and [varphi] is the torsion angle ...

Potential-energy function
Post, C. B. and Dadarlat, V. M.  International Tables for Crystallography (2012). Vol. F, Section 20.2.3, pp. 642-644 [ doi:10.1107/97809553602060000878 ]
... are force constants, and are equilibrium values for bond lengths, b, and angles, [theta], respectively, and [varphi] is the torsion angle ...

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