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Re: [ESPResSo-users] (no subject)

From: Nairhita Samanta
Subject: Re: [ESPResSo-users] (no subject)
Date: Mon, 16 Jan 2017 12:32:16 +0530


I know, that the mail does not resend to the authors, but strangely I am receiving a mail saying just after sending a mail to the user list.


from:address@hidden via



On Mon, Jan 16, 2017 at 12:16 PM, Florian Weik <address@hidden> wrote:

that mail was sent over the list. At least I got it. Please be aware of the fact that this list does not resend mails to the author via the list.


On Mon, Jan 16, 2017, 7:42 AM Nairhita Samanta <address@hidden> wrote:

I sent the following mail to address@hidden, which is not getting delivered.

from:Nairhita Samanta <address@hidden> to:ESPResSo Users <address@hidden>
date:Mon, Jan 16, 2017 at 12:02 PMsubject:Can a simulation be restarted from the end configuration


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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