[gmx-users] npt equilibration nanotubes

ANAND AMITKUMAR DHARIA adharia at berkeley.edu
Tue Apr 5 23:17:36 CEST 2016


For those who have simulated with nanotubes, how have you performed an nPT
equilibration of your systems. I have used a freeze group on my nanotube,
however, I know this is incompatible for pressure coupling.


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