/tools/Swarm-CG
Swarm-CG
GMPavanLab/Swarm-CG
summary
Swarm-CG automates the optimization of bonded terms in MARTINI-based coarse-grained molecular models by using a reference all-atom trajectory. It includes modules for evaluating parametrization, optimizing parameters, and monitoring the optimization process, making it a valuable tool for molecular modeling and simulations.
description
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
topics
coarse-grainingcoarse-grainedmolecular-dynamicsmolecular-modelinggromacsoptimizationoptimization-toolsbonded-termsbonded-parametersswarm-cgcg-model
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