Dear Gromacs users,
I have a question about an effect of time-step on results of
simulation with LINCS.
Now, I am running on a MD simulation of a rigid molecule in vacuum
under NVE ensemble.
No temperature coupling was used. No inter-atomic potential was used.
The rigid molecule is consisting of
Dear Gromacs users,
I have a question about an effect of time-step on results of
simulation with LINCS.
Now, I am running on a MD simulation of a rigid molecule in vacuum
under NVE ensemble.
No temperature coupling was used. No inter-atomic potential was used.
The rigid molecule is consisting of
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