Hi,
For instance if the offset is equal to 2, ptraj to produce the average
structure will not consider all the coordinate sets (frames) from your
trajectories but just one coordinate set every 2 coordinate sets.
If you have 10 coordinate sets in your trajectories, ptraj will read and
use to calculate the average structure only 5 of them.
hope it helps
Angelo
Tonda March wrote:
> Dear AMBER community,
>
> I am new to using ptraj and I have a question about one of the
> keywords. When using the command "average" in ptraj, what exactly is
> the meaning of the "offset" term? The command allows you to set
> "start", "stop", and "offset" for the configurations read in, and I
> don't understand what "offset" means in this context.
>
> Apologies for asking such a basic question. Thank you very much in
> advance for any advice.
>
> -Tonda
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