[gmx-users] Strange jumps in box dimensions
iarizex at gwdg.de
Mon Mar 12 15:27:16 CET 2018
I am simulating a small membrane protein system:
Protein 1 (256 aminoacids)
using CHARMM36m force-field, short cut-offs (0.9 nm) and semi-isotropic
I am experiencing sudden jumps in box dimensions from [6.52 6.52 6.96]
to [5.05 5.05 7.72]
in tens of nanoseconds, which take hundreds of nanoseconds to go back to
the previous box size.
Has anyone ever seen anything similar?
More information about the gromacs.org_gmx-users