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Becksteinlab
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MDPOW
Calculation of water/solvent partition coefficients with Gromacs.
https://mdpow.readthedocs.io
GNU General Public License v3.0
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add solvents kwarg to build_universe in mdpow.workflows.dihedrals
#262
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cadeduckworth
closed
1 year ago
cadeduckworth
commented
1 year ago
this pertains to choosing the correct directory to build the universe from when working with single solvent analyses
orbeckst
commented
1 year ago
fixed in PR #263