[gmx-users] NVT equilibration in vacuum

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Tue Mar 26 22:43:19 CET 2019

Hello gromacs users,

I am using gromacs to simulate a peptide in vacuum. I was wondering for the NVT equilibration step, are there any particular parameters to be changed for vacuum conditions as there is no position restraining on solvent molecules?

Thank you,

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