Initializing Domain Decomposition on 16 ranks
Dynamic load balancing: locked
Using update groups, nr 19590, average size 2.6 atoms, max. radius 0.139 nm
Minimum cell size due to atom displacement: 0.658 nm
Initial maximum distances in bonded interactions:
two-body bonded interactions: 11.770 nm, Exclusion, atoms 6833 6837
multi-body bonded interactions: 11.770 nm, Angle, atoms 6833 6837
Minimum cell size due to bonded interactions: 12.947 nm
Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25
Using 8 separate PME ranks
Optimizing the DD grid for 8 cells with a minimum initial size of 16.184 nm
Ewald_geometry=3dc: assuming inhomogeneous particle distribution in z, will not decompose in z.
The maximum allowed number of cells is: X 0 Y 0 Z 1
体系是模拟蛋白在GO层上的吸附，我冻结了GO层。 作者Author: sobereva 时间: 2021-5-8 11:43
贴图方式不对，别人看不到作者Author: wzx 时间: 2021-5-8 14:12 (, 下载次数 Times of downloads: 26)