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Hello, I have been running somd-freenrg calculations I often obtained the following warning when analyzing my results "#WARNING SUBSAMPLING ENERGIES RESULTED IN LESS THAN 50 SAMPLES, CONSIDER RERUN WITHOUT SUBSAMPLE OPTION".
What I understand is that I should run my simulations for a longer time. But I am not quite sure what the subsampling option actually does.
how is the statistical inefficiency evaluated?
is the subsampling also applied for the MBAR analysis?
what are these 50 samples? are they gradient values per lambda or the whole number of gradient values considered for the TI analysis?
Thank you
The text was updated successfully, but these errors were encountered:
Hello, I have been running somd-freenrg calculations I often obtained the following warning when analyzing my results "#WARNING SUBSAMPLING ENERGIES RESULTED IN LESS THAN 50 SAMPLES, CONSIDER RERUN WITHOUT SUBSAMPLE OPTION".
What I understand is that I should run my simulations for a longer time. But I am not quite sure what the subsampling option actually does.
Thank you
The text was updated successfully, but these errors were encountered: