[gmx-users] Is anyone also using lammps?s

Mark Abraham 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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