Re: [AMBER] power failure + resume

From: shahab shariati <shahab.shariati.gmail.com>
Date: Sun, 8 Nov 2015 15:10:49 +0330

Dear Jason,

In future MD simulations, I will consider all points you mentioned.

Now, in my case, I want to resume sander after power failure.

> so your restart file is unlikely to correspond to the output at time step
> 2445000‚Äč. It could belong to any step between 2445000 and 2447500.

The step 2445000 is corresponded to 978. For more assurance, I want to get
a rst file in frame 975 (before step 978). Then resume sander using this
new rst file.

How to get a rst file from a mdcrd at the special frame?

Best
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Received on Sun Nov 08 2015 - 04:00:05 PST
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