[gmx-users] timestep fraction complete
js at drugdiscoveryathome.com
Thu Sep 24 23:34:49 CEST 2009
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 /
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