Robust Automated Truncation Point Selection for Molecular Simulations
Quantities calculated from molecular simulations are often subject to an initial bias due to unrepresentative starting configurations. Initial data are usually discarded to reduce bias. Chodera's method for automated truncation point selection [J. Chem. Theory Comput. 2016, 12, 4, 1799-1805] is...
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| Published in: | Journal of chemical theory and computation Vol. 21; no. 1; p. 88 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
14.01.2025
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| ISSN: | 1549-9626, 1549-9626 |
| Online Access: | Get more information |
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