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ravi kant wrote:
I am trying to study the properties
Hi all,
I am trying to study the properties of Argon by NVT simulation. The
configuration file of Ar which I generated fills the half of simulation box
(cuboid) with Ar atoms and rests nothing.
After running the simulation I found that some regions of cubiod were highly
packed with Ar compared t
>
> Dear all,
>
> In the mdp input file of an MD simulation i have:
> nstxtcout= 20
> xtc_grps = cwat
> I tell mdrun to write the coordinates of a small group
> of 4 waters to a file called traj1.xtc every 20 steps.
> the xtc file is created and has a non-zero size.
Dear all,
In the mdp input file of an MD simulation i have:
nstxtcout= 20
xtc_grps = cwat
I tell mdrun to write the coordinates of a small group
of 4 waters to a file called traj1.xtc every 20 steps.
the xtc file is created and has a non-zero size.
However, if i s
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