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We need a way that the Pcw and Pow calculations can use water runs that were not originally part of the same MDPOW run (not in the same directory).
Perhaps water is too restrictive as a directory name and alternatives need to be allowed. Or have subdirectories with water model name but the first approach is more flexible.
We need a way that the Pcw and Pow calculations can use water runs that were not originally part of the same MDPOW run (not in the same directory).
Perhaps water is too restrictive as a directory name and alternatives need to be allowed.
Or have subdirectories with water model name but the first approach is more flexible.mdpow-pxy
that calculates the difference between solvents x and y.The text was updated successfully, but these errors were encountered: