[gmx-users] Molecule leave from the simulation box

Sameer Edirisinghe nootsam at gmail.com
Thu Sep 21 05:54:00 CEST 2017

Dear Users,

I have done simulation for polymer system which is having 20 molecules. But
after nvt equilibrium 2 molecules leave the simulation box. Is this
affecting to my production run or analysis?

Is it possible to re-center all molecules?

Bhagya karunarathna

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