All-atom empirical potential for molecular modeling and dynamics studies of proteins.
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...The determination of these parameters is a significant undertaking generally accomplished through a combination of empirical techniques and quantum mechanical calculations [7,8,9]; the force field is then tested for fidelity in reproducing the structural, dynamic, and thermodynamic properties of small molecules that have been well-characterized experimentally, as well as for fidelity in reproducing bulk properties....
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...NAMD is able to use the parameterizations from both CHARMM [7] and AMBER [10] force field specifications....
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...NAMD is able to use the parameterizations from both CHARMM7 and AMBER10 force field specifications....
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