VMD-L Mailing List
From: Ashar Malik (asharjm_at_gmail.com)
Date: Sun May 17 2015 - 21:13:43 CDT
Restart points are created. You could theoretically use them to continue
the simulation. Also ensure the DCD us intact. To ensure this just load it
into vmd. Remember if the DCD is in tact, start writing a new trajectory.
Some of the frames will be repeated across the old and new trajectories. So
you could remove them.
On May 18, 2015 1:56 PM, "δΈζ" <dingh09_at_163.com> wrote:
> When my NAMD was running, the power was off accidentally. Do I have to
> run the calculation from the very beginning? Is there any way to continue
> the calculation where it stopped?
> Thank you!