[gmx-users] Periodic Boundary Condition in evaporation of droplets

Rasoul Nasiri nasiri1355 at gmail.com
Tue May 7 15:50:59 CEST 2013

Dear All,

I just had a question regarding using the PBC for evaporation of clusters.
Due to PBC the evaporated molecules again come back to drop
(re-condensation). For me such a process is physically meaning less.

Shall I ask a question from GMX users about this issue.

How we can eliminated this unphysical process?

Please ote that I'm not interest to use vacuum since vapour pressure of
nanodrop is essential foR my MD simulation.

Many thanks

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