[gmx-users] Replica Exchange for surface tension

gozde ergin gozdeeergin at gmail.com
Tue Mar 28 18:43:05 CEST 2017

I have a mixed system of SDS and cocobetaine on water surface.
I estimated the surface tension of SDS on water surface and cocabetaine on surface tension separately and correctly (comparing with experimental results).
However I could not estimate the correct surface tension for SDS-cocobetaine mix in even 150 ns simulation.
Do you think replica exchange simulation would help me to estimate the correct surface tension of mixed system?
Do you have any idea why I failed in estimating the mixed system surface tension?

Thanks in advance.

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