AW: Organic Solvent & Water Simulation

From: Norman Geist (
Date: Wed Jun 21 2017 - 02:31:42 CDT

Somethink like this? <> &t=19s


Why shouldn’t it be possible?


Von: [] Im Auftrag von Oscar Bastidas
Gesendet: Dienstag, 20. Juni 2017 22:15
Betreff: namd-l: Organic Solvent & Water Simulation


Hello everyone,


Would somebody please tell me if it is possible to simulate an emulsion system of water and an organic solvent (hexane perhaps?)


Also would you tell me if NAMD can simulate phase transitions such as the hexane flashing off/evaporating off of the aforementioned water/hexane emulsion? Thank you.




Oscar Bastidas, Graduate Student

Department of Chemical and Life Science Engineering

Virginia Commonwealth University

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