GROMACS version: 2022.3
GROMACS modification: No
I want to run repeats starting from the end of my equilibration run. I saw on a tutorial that I can and should generate new velocities so I currently have gen-vel = yes and gen-seed = -1 for each repeat. However, since I am generating new velocities, should I have continuation = yes or no? To give some context, my last equilibration step has no restraints so I wouldn’t be removing or applying any new restraints between my last equilibration step into production.
Also, if I have to restart my production run after 50ns for example, will gromacs generate new velocities each time I restart? Or does that only occur if I use grompp to generate new tpr files. I am planning on just running mdrun and appending to my old output file during the restart job.