[gmx-users] problem to restart REMD

leila salimi leilasalimi at gmail.com
Wed Jun 17 20:38:36 CEST 2015


Hi All,

I have 8 replicas and I had data for around 120 ns and I tried to restarted
with state.cpt files but it stopped with this Note immediately :

NOTE: 31 % of the run time was spent communicating energies,
      you might want to use the -gcom option of mdrun

The problem is that two of the state files are updated but the others not
and now I have different time of restart information that also
state_prev.cpt are not matched!

5 files have the information of time 127670.000 and 2 files are for
the time 127670.062.

Is there any way that I can resubmit my simulation from the point that I
have, not from 0?

Thanks very much,
Leila


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