Hello everyone,
I'm starting to use GROMACS for MD with mixed solvents, so after reading some threads about it, I decided to generate the solvent box using packmol, and the I ran gmx solvate whith my protein and the mixed solvent.
After 48 hours I'm still waiting for gmx solvate to finish, or at least to say something to me so I get an idea if it's working. But since I have no idea how much time takes each step (box generation and equilibration, protein solvation, input files generation, actual MD run...) I only know in advance that the actual simulation takes a lot of time and computation power. But I don't know if I should keep waiting for the solvation or if I should terminate the process because I messed something with the solvent box that made the program stop working.
In synthesis,
How much computation time it takes each step required for GROMACS simulation, so I know how much is the expected waiting time.
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