From: Aron Broom (broomsday_at_gmail.com)
Date: Sat Feb 25 2012 - 11:00:24 CST
yes, don't look in the log file, just open up the restart file and check at
the timestep it was saved at
On Sat, Feb 25, 2012 at 10:38 AM, Nicholas M Glykos <glykos_at_mbg.duth.gr>wrote:
>
>
>
> > you have to specify the last timestep written in the dcd file.
>
> You have to specify the timestep at which the restart files you are
> using were saved (which depends on the value of restartfreq). The frames
> written in the DCD _after_ the restart should be thrown away (at the
> DCD merging step).
>
>
>
>
> --
>
>
> Nicholas M. Glykos, Department of Molecular Biology
> and Genetics, Democritus University of Thrace, University Campus,
> Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
> Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
>
>
-- Aron Broom M.Sc PhD Student Department of Chemistry University of Waterloo
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