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verified publisher icon Becksteinlab

Implement the new solvents (cyclohexane, toluene) in all scripts

Open iorga opened this issue 3 years ago • 0 comments

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.

iorga avatar Jan 20 '23 08:01 iorga