The difference between REWEIGHT_METAD and REWEIGHT_BIAS

[Junbo Lu]

Hello everyone,

  I follow one example in plumed website: PLUMED: MARVEL-VES tutorial (Lugano Feb 2017): Metadynamics. For reweighting, there are two keywords: REWEIGHT_METAD and REWEIGHT_BIAS:

weights1: REWEIGHT_METAD TEMP=300 

weights2: REWEIGHT_BIAS TEMP=300 ARG=metad.rbias,uwall.bias

  When will we use these two keywords for reweighting?

  With my best regards,

  Junbo

[Michele Invernizzi]

Hi Junbo,

I agree, the naming can be a little confusing. The only difference between REWEIGHT_BIAS and REWEIGHT_METAD is that the first uses as default ARG=*.bias, while the second uses ARG=*.rbias . You can check this also by looking at the source code: src/bias/ReweightBias.cpp and src/bias/ReweightMetad.cpp .

This means that if you specify the ARG yourself these two actions are completely identical. 

Best,

Michele

--
You received this message because you are subscribed to the Google Groups "PLUMED users" group.
To unsubscribe from this group and stop receiving emails from it, send an email to plumed-users...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/plumed-users/a9e72680-0e60-417a-b143-2c9b1ec48283n%40googlegroups.com.