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. 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
