Optimization of replica exchange temperature ladder under the well-tempered ensemble

Selection of temperature sequence and bias factor is a critical step for the preparation of Parallel Tempering simulations in a Well-Tempered Ensemble (PT-WTE). We provide a scheme in this study to generate the temperature sequence and the corresponding bias factor optimally. The number of replicas...

Full description

Saved in:
Bibliographic Details
Main Authors: Liu, Yang, Li, Weifeng, Mu, Yuguang
Other Authors: School of Biological Sciences
Format: Article
Language:English
Published: 2020
Subjects:
Online Access:https://hdl.handle.net/10356/136890
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: Nanyang Technological University
Language: English