CG-OPT: A software package for automatic force field design
Author:
Publisher
Elsevier BV
Subject
General Physics and Astronomy,Hardware and Architecture
Reference12 articles.
1. Automatic parameterization of force fields for liquids by simplex optimization
2. Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties
3. D. Reith, M. Pütz, F. Müller-Plathe, Deriving effective meso-scale coarse graining potentials from atomistic simulations, 2002, in preparation
4. Mapping Atomistic to Coarse-Grained Polymer Models Using Automatic Simplex Optimization To Fit Structural Properties
5. Structural properties of poly (acrylic acid) in aqueous solution;Reith;J. Chem. Phys.,2002
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