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[ESPResSo-users] Can a simulation be restarted from the end configuratio

From: Nairhita Samanta
Subject: [ESPResSo-users] Can a simulation be restarted from the end configuration
Date: Mon, 16 Jan 2017 12:02:50 +0530


I wanted to know if a simulation, which has been run for 'n' number of steps, can be restarted from there, so I can get a continuous trajectory of say '2n' number of steps.

In that case I assume I need to provide the positions of the particles of the nth step, but should I provide the folded or the unfolded positions (if they are different)? But in case of unfolded position some particles can be completely out of the box, do they need to be relocated inside the box? And do I need to provide the velocity as well. I should be able to directly start the integration as the warm up is no more required and it will break the continuity.

Thanking you.

with regards,

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