I figured out another way to update the progress of my simulation, but I need to report the fraction of completion at the certain intervals of mdrun. Possibly at every time step or if that does not make sense every 100 timesteps. I don't think this is a feature currently supported, so I will have to make some source code chages. I am looking for the variables related to total number of time steps and where it controls the the current time step so I can calculate the fraction of complete where current-timestep / total-timestep
-- Jack http://drugdiscoveryathome.com http://hydrogenathome.org
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