title: Comparison between Mean Forces and Swarms-of-Trajectories String Methods.
abstract: The original formulation of the string method in collective variable space is compared with a recent variant called string method with swarms-of-trajectories. The assumptions made in the original method are revisited and the significance of the minimum free energy path (MFEP) is discussed in the context of reactive events. These assumptions are compared to those made in the string method with swarms-of-trajectories, and shown to be equivalent in a certain regime: in particular an expression for the path identified by the swarms-of-trajectories method is given and shown to be closely related to the MFEP. Finally, the algorithmic aspects of both methods are compared.
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Chicago , Chicago, Illinois 60637, United States.
authors.forename: Luca
authors.initials: L
authors.lastname: Maragliano
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Chicago , Chicago, Illinois 60637, United States.|Biosciences Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
authors.forename: Benoît
authors.initials: B
authors.lastname: Roux
authors.affiliation: Courant Institute of Mathematical Sciences, New York University , New York, New York 10012, United States.
authors.forename: Eric
authors.initials: E
authors.lastname: Vanden-Eijnden