aggregate Time - Metric data attribute error

Acellera / htmd

HTMD: Programming Environment for Molecular Discovery

https://software.acellera.com/docs/latest/htmd/index.html

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aggregate Time - Metric data attribute error #1021

Closed JanaHorackova closed 2 years ago

JanaHorackova commented 2 years ago

Hi, I want to use the aggregate time attribute of a MetricData object like this: data.aggTime (from documentation). I keep getting this error:

AttributeError Traceback (most recent call last)

in 3 4 # Estimate the total simulation time ----> 5 data.aggTime AttributeError: 'MetricData' object has no attribute 'aggTime' ### I tried using aggregateTime instead of aggTime, no errors but seems to do nothing (no output). Can you give me advice, please? ### Jana

stefdoerr commented 2 years ago

Hi Jana, this happens if there is no fstep set on MetricData. Try setting data.fstep = X where X is your simulation sampling frequency in nanoseconds. In our case it's usually 0.1