five

CHARMM36-UA DOPS simulations (versions 1 and 2) 303 K 1.0 nm LJ switching

收藏
NIAID Data Ecosystem2026-03-11 收录
下载链接:
https://zenodo.org/record/1129455
下载链接
链接失效反馈
官方服务:
资源简介:
CHARMM36-UA DOPS simulations (303 K, starting structure from the CHARMM-GUI with appropriate hydrogen atoms removed) performed with a 1.0 nm point at which to switch off the van der Waals interactions. Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small.
创建时间:
2020-01-24
二维码
社区交流群
二维码
科研交流群
商业服务