Regularization of least squares problems in CHARMM parameter optimization by truncated singular value decompositions
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of California Los Angeles, Los Angeles, California 90095, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/am-pdf/10.1063/5.0045982
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4. Rapid parameterization of small molecules using the force field toolkit
5. Development and testing of a general amber force field
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