Dear all:
These days, I am trying to pull a slab of griphene moving along the Z direction
at a constant speed. The slab of griphene contains 700 atoms. After several
times of E-mail communication with the Gromacs users, the simulation can run.
However, the run didn't produce the results which
Hi,
you should set one pull group, not 700. The number of atoms in your
pull group is 700. Freezing the pull group in x and y direction probably
does what you want. Please also consider to upgrade to 4.0.7,
which is the most recent stable version.
Best,
Carsten
On Jan 22, 2010, at 7:41 AM,
nbsp;
Dear all:
nbsp;nbsp;nbsp;nbsp;nbsp;nbsp; I’m using Gromacs-4.0.5 and I want to use
the pull code to pull a slab of griphene to move along the Z direction in the
simulation (Steered Molecular Dynamics-SMD). The griphene has 700 carbon atoms
and the positions of the 700 atoms are expected
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