[gmx-users] PBC for evaporation of droplets?

[Rasoul Nasiri]

Dear all,

I would like to ask you that using PBC for evaporation of droplets is necessary?

Please note that the MD simulations are to be performed in vacuum.

I checked the relevant references but in some of them PBC has been
taken into account but in others not [for instance please see J.chem.
phys. 125, 154508 (2006) and J. chem. phys. 134, 164309 (2011)].

I would be grateful if you can tell me advantages and disadvantages of
PBC in evaporation of droplets in the vacuum.

Best  regards
Rasoul