[gmx-users] gmx_d energy output at multiple time points?

[Mark Abraham]

Hi,

No, it isn't built in. You'll need to call it multiple times.

Mark

On Mon, Oct 1, 2018, 20:24 James <james at ryley.com> wrote:

> Hi,
>
> When you run "gmx_d energy", by default it prints summary statistics (drift
> of total energy is what I am most interested in) for the whole run. You can
> set a time window to analyze using the -b and -e switches.
>
> But, is there any way to have it output the statistics for multiple
> windows? For example, I have a 1ns run and I would like to divide the run
> into ten equal parts of 100ps each and get the statistics on each part. I
> realize I could do this by running "gmx_d energy" ten times, changing the
> -b and -e values each time, but doing multiple windows automatically seems
> like something that might be built in and I just can't find it in the docs.
>
> Thanks!
>
> Sincerely,
> James Ryley
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>