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Re: [ESPResSo-users] Query on checkpoints

From: Rudolf Weeber
Subject: Re: [ESPResSo-users] Query on checkpoints
Date: Fri, 24 Jan 2014 14:57:58 +0100
User-agent: Mutt/1.5.21 (2010-09-15)

On Fri, Jan 24, 2014 at 05:31:47AM -0800, padidela uday wrote:
> Can anyone suggest me, how to use checkpoints in espresso to restart my
> simulation after terminating it?
There is no checkpointing mechanism as such, because the "state" of the 
simulation consist not only of particles data, interactions, and system 
parameters such as time_step, but also of the "state" of your tcl script.

You can use the blockfile mechanism to save particles, bonds, interactions, 
Espresso global variables and even tcl variables.

However, you have to carefully write your tcl script, so that the simulation 
really continues in exactly the same way it ran before the blockfiles were 

Regards, Rudolf

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