[gmx-users] Sampling snapshots in arbitrary intervals of time

Mark Abraham mark.j.abraham at gmail.com
Sat Feb 6 00:32:11 CET 2016


No. You'd have to use trjconv and trjcat to construct that after the fact.


On Fri, Feb 5, 2016 at 11:28 PM Irem Altan <irem.altan at duke.edu> wrote:

> Hi,
> Is it possible to record snapshots in non-linear intervals? For instance,
> in logarithmic time. In that case we would not save the snapshots, say,
> once in every 1000 steps, but we would save the first one, then the 10th
> one, then the 100th one, etc.
> Also, if we save it in linear intervals, is it possible to get the
> coordinates with trjconv in non-linear intervals? In this case we would
> have saved every 1000th step, but we would be sampling the first one, the
> 10th saved one (corresponding to the 10000th step) etc.
> Best,
> Irem
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