Re: [AMBER] Resume AMD simulation

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 10 Apr 2018 09:25:58 -0400

Hi,

You should be able to restart your run and use the '-A' flag to append
to existing files, but to be safe I would just restart and write to
new files. Unless your previous simulation died just after the last
restart was written you'll end up with extra frames in the middle of
your trajectory etc files.

-Dan

On Wed, Mar 21, 2018 at 9:24 AM, Rosellen, Martin
<martin.rosellen.16.ucl.ac.uk> wrote:
> Dear all,
>
> a longer AMD run got interrupted half way through. Is there a way to resume the simulation and continue to write data to the original log and trajectory files?
>
> cheers
> Martin
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Apr 10 2018 - 06:30:06 PDT
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