[WIP] Gromacs apply_restraints (+ basic mdp parsing) #971
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This is based on our discussion in #889 .
It adds:
snapshot_timstepproperty (in ps) as calculated from the parsed mdpwrite_mdpmethod for gromacs engine to write (modified) mdp filesapply_restraintsmethod for gromacs enginerandomize_velocitiesmethod for gromacs engine (I would add this here since it feels natural to me to do it in one go with thewrite_mdpandapply_restraints)Some things to note:
write_mdpmethod much simpler.