[gmx-users] Free volume variation during the simulation

Arun Srikanth askforarun at gmail.com
Wed May 6 01:22:40 CEST 2020

Are you simulating a crystal or amorphous system?


On Wed, May 6, 2020 at 12:13 AM Mohamed Abdelaal <m.b.abdelaal at gmail.com>

> 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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