[gmx-users] NoPbc

Mostafa Javaheri javaheri.gromacs at gmail.com
Thu Jun 29 19:29:29 CEST 2017


Dear gmx users

I'm doing QM/MM simulation by using ORCA-Gromacs interface, the whole
simulation will take only 1 ps and I need to set pbc off. For this short
period of simulation does the pressure of the box change? Does the water
vaporize after 500 steps? Any helps will be appreciated.

Regards

M.Javaheri


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