2 papers · ranked by Valyu relevance
Charly Empereur-mot, Luca Pesce, Davide Bochicchio, Claudio Perego + 1 more
We present Swarm-CG, a versatile software for the automatic parametrization of bonded parameters incoarse-grained (CG) models. By coupling state-of-the-art metaheuristics to Boltzmann inversion, Swarm-CG performs accurate parametrization of bonded terms in CG models composed of up to 200 pseudoatomswithin 4h-24h on…
Charly Empereur-mot, Luca Pesce, Davide Bochicchio, Claudio Perego + 1 more
We present Swarm-CG, a versatile software for the automatic parametrization of bonded parameters in coarse-grained (CG) models. By coupling state-of-the-art metaheuristics to Boltzmann inversion, Swarm-CG performs accurate parametrization of bonded terms in CG models composed of up to 200 pseudoatoms within 4h-24h on…