[gmx-users] mdrun -rerun
mark.j.abraham at gmail.com
Tue Jun 5 10:45:28 CEST 2018
Rerun post-processes the trajectory. If it could guess about frames that
aren't there, then you wouldn't need to have run the simulation. ;-)
On Tue, Jun 5, 2018 at 10:43 AM venkat <azbvenkat at gmail.com> wrote:
> For my work, I did md simulations (200ns) by setting with
> 0.5 ns xtc and 0.5 ns trr files (interval used to save the coordinates).
> But now I require 4000 frame for 200 ns MD simulations trajectory (25000
> steps, 500 ps) is that possible to get from using "*-rerun*" option or
> need to run freshly ?.
> Thanks in Advance
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