five

GROMOS-CKP POPC bilayer simulation at 298K (rvdw = 1.0 nm)

收藏
NIAID Data Ecosystem2026-03-13 收录
下载链接:
https://zenodo.org/record/5997384
下载链接
链接失效反馈
官方服务:
资源简介:
Simulation of a POPC bilayer of 500 lipids (250 per leaflet) is simulated for 500 ns using Gromacs at 298 K. The GROMOS-CKP model is employed for lipids and SPC for water. Simulation is identical to https://doi.org/10.5281/zenodo.3247434 with the exception of the temperature. Force field files are from https://lipidbook.org/. NOTE: This is run with 1.0 nm cut-off even though 1.4 nm should be used with GROMOS-CKP Trajectory (.xtc) is for the last 350 ns of a simulation of 500 ns with data saved every 10 ps.
创建时间:
2022-02-21
二维码
社区交流群
二维码
科研交流群
商业服务