[gmx-users] Aggregation or phase separation

gozde ergin gozdeeergin at gmail.com
Mon Oct 9 16:08:19 CEST 2017


I am using Gromacs to study the cis-pinonic acid aggregation in water.
In order to use the Gibbs-duhem relation, I would like to know if these aggregates form inside the water are pseudo-phase or separate phase?
Do you have any hint how to define the phase of aggregates in water by using Gromacs tool?

Thanks in advance.


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