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Currently some scripts (e.g. mdpow-rebuild-fep) do not have implemented the new solvents (cyclohexane, toluene). All solvents should be implemented (water, octanol, cyclohexane, toluene) should be implemented in all scripts.
Currently some scripts (e.g.
mdpow-rebuild-fep) do not have implemented the new solvents (cyclohexane, toluene). All solvents should be implemented (water, octanol, cyclohexane, toluene) should be implemented in all scripts.