Water/vacuum system

User discussions
1

GROMACS version:
GROMACS modification: Yes/No
Here post your question :
Dear Gromacs Users,

I want to run a water/vacuum system to calculate surface tension of water. I have hydrated DMPC bilayer system from which I have removed the DMPC molecules and all water molecules present in the upper leaflet. Then I translated the lower leaflet water molecules and energy minimized the structure.
Kindly see the attached snapshot of the

Snapshot
Snapshot1231×610 153 KB
energy minimized structure.

Kindly let me know whether the approach which I am employing is correct or not.

Thanks in advance,
Abhinav Srivastava