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Dear PyMBAR users,

I ran free energy calculations using gromacs-4.5.5 and the dhdl.xvg file consists of time and dVpot/dl values. When I am running achemical-gromacs.py, I get the following error:

"raise ParameterException('Sample covariance sigma_AB^2 = 0 -- cannot compute statistical inefficiency')"

Any suggestions will be helpful.

Thanks
Sai