LAMMPS framework for dynamic bonding and an application modeling DNA
收藏NIAID Data Ecosystem2026-03-10 收录
下载链接：
https://data.mendeley.com/datasets/g965bpw9cd
下载链接
链接失效反馈官方服务：
资源简介：
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled to limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected tri...
Title of program: LAMMPS Framework for Directional Dynamic Bonding
Catalogue Id: AEME_v1_0
Nature of problem
Simulating coarse-grain models capable of chemistry e.g. DNA hybridization dynamics.
Versions of this program held in the CPC repository in Mendeley Data
AEME_v1_0; LAMMPS Framework for Directional Dynamic Bonding; 10.1016/j.cpc.2012.03.005
创建时间：
2018-12-07
