new input #522
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new input #522
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…l wrong but are needed to check new_input)
…matrices have no H. Need to add a check to compare matrices and topologies
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Regtest output are those obtaiend from new_sigma_prior
They are wrong but can be used to compare the new input structure
Now the combination of Hmask and learned flag raise an error because of the missing atoms in matrices, if those are removed all regtest pass