[gmx-users] nstlist changes during equilibration and production

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Mon Apr 15 23:21:48 CEST 2019

Hello gromacs users,

I set my nstlist to 10 steps for energy minimization, NVT equilibration and MD production run. However, for the latter two steps, nstlist changes from 10 to 100 (My time step for integration was set to 2 fs). Is 20 fs too fast to update neighbor list? Any impact on accuracy?

Many thanks,

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