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osmostat

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choderalab / saltswap

Package to fluctuate the number of counterions in an OpenMM simulation

simulation salt openmm reservoir water salt-concentration chemical-potential cations osmostat

Updated Sep 20, 2021
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choderalab / saltswap-results

Repository for the results of saltswap that are necessary for a first publication

simulation salt openmm reservoir salt-concentration chemical-potential osmostat publication-results

Updated Dec 8, 2017
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