[gmx-users] Is anyone also using lammps?s
Mark.Abraham at anu.edu.au
Wed Oct 28 01:01:31 CET 2009
Peng Yi wrote:
> I am trying to simulate alkane melt and found out that gromacs and
> lammps gave different results, particularly the bonded interaction energy.
> I wonder if anyone has such experience. Thanks,
Even two installations of the same version of GROMACS can give different
results. The question is whether when using comparable model physics you
observe the same ensemble averages.
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