Re: restart file

From: Aron Broom (
Date: Sat Feb 25 2012 - 08:43:56 CST

What you have said is true, but the firsttimestep is just for the sake of
naming your files, and having that information in the file headers and
such. It makes the most sense to have firsttimestep be the last timestep
that you are restarting from, such that you always know the order of your
simulations, but that is all it is used for.


On Sat, Feb 25, 2012 at 8:31 AM, Namd Namd <> wrote:

> Dear All,******
> I want to prepare a restart conf file to restart my md simulations from
> the last step of the previous job. So I searched for the restart conf files
> from mail archive and tutorials. Some of them include “firsttimestep *0*”
> and others include “firsttimestep *last step in namd.log file*”. How can
> I specify "firsttimestep" when restarting the simulation? I think that if
> I specify "firsttimestep 0" I can restart from the last step of the
> previous job. Because I also determine binCoordinates, binVelocities ,
> extendedSystem and comment the temperature . Is it true ?****
> Thanks for the help.****

Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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