GROMACS version: 2023.2
GROMACS modification: Yes/No
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In the Gromacs membrane tutorial, the production run has been set to start with previous MD run velocities using -t <previous_run>.cpt at grompp. However, during equilibration steps, there is no such continuation and most times I haven’t seen continuations of velocities in equilibration steps. However, I feel that it would be better if the equilibrations with multiple nvt and npt steps are done with velocity continuations.
Can someone explain is it appropriate to do velocity continuations during multiple equilibration steps?