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

Irem Altan irem.altan at duke.edu
Sat Feb 6 00:28:25 CET 2016


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.


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