Mark,
I'm not really sure what you mean by technique. I assume NEMD stands
for Non-equilibrium MD? That is the case in my simulation..
About my simulation: I am trying to simulate a fluid flow between
surfaces. Two atomistic surfaces of gold atoms have been created at
Z=0 and Z=z, where z is the
Mark,
I'm not really sure what you mean by technique. I assume NEMD stands
for Non-equilibrium MD? That is the case..
About my simulation: I am trying to simulate a fluid flow between
surfaces. Two atomistic surfaces of gold atoms have been created at
Z=0 and Z=z, where z is the top of the box.
Hi,
Which technique are you using for this?
https://redmine.gromacs.org/issues/1354 speculates that this code is just
broken, has been so for years, and should be removed given that nobody
wishes to do the work to fix it ( :-( )
Mark
On Tue, May 23, 2017 at 11:13 AM Kamps, M.
Dear GMX users,
I have some strange behaviour which I cannot explain.
I want to accelerate atoms through my box at a certain velocity. Since
I can only adjust the acceleration, I have to trial-and-error my way
to the right accelerations.
To do this, I create a smaller 'testing' simulation,
