FixBox: A General Algorithm to Fix Molecular Systems in Periodic Boxes
Author:
Affiliation:
1. Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras 2780-157, Portugal
Funder
Funda??o para a Ci?ncia e a Tecnologia
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00823
Reference24 articles.
1. Constant-pH molecular dynamics using stochastic titration
2. Constant-pH Molecular Dynamics with Ionic Strength Effects: Protonation−Conformation Coupling in Decalysine
3. GROMACS Development Team. GROMACS Documentation (Release 2021.6). https://manual.gromacs.org/documentation/2021-current/manual-2021.6.pdf, 2021.
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