[gmx-users] Free volume variation during the simulation
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,
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users