[gmx-users] Free volume variation during the simulation

Mohamed Abdelaal m.b.abdelaal at gmail.com
Wed May 6 01:13:31 CEST 2020


Hello everybody,

I have two fundamental questions please.

I have measured the fee volume and I discovered that, the free volume
changes with respect to the time during the production run (different value
for each frame). However I have measured the density but the result does
not change with respect to time.

Shouldn't the density also changes with time if the free volume changes
with  time ?

I also can't understand why the free volume changes with respect to the
time, if the number of molecules and volume of box didn't change.

Many Thanks,
Mohamed


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