[gmx-users] Restart energy minimization with step .pdb files

[Michele Pellegrino]

Hi,


I am trying to restart steepest descent using the .pdb files generated by mdrun. The name of these files has the following pattern:

step#%_n*.pdb

being # and * integers and % a character ('a', 'b' or 'c').

I read the documentation, but I can't understand what those files represent.

Could anyone give me some hint?


Cheers,

Michele


p.s. I am running GROMACS 2019.5