[gmx-users] Error while trying free energy calculation

[Mark Abraham]

The tutorial was written for a very old version of GROMACS that didn't warn when the user was doing something that had the potential to fail to conserve energy (viz, PME + LJ-switch/shift. It is just a warning, so you could go ahead and ignore it on the implicit advice of the tutorial author. Or you could ask them :-)

Mark

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