[gmx-users] compiler options
Shrivastava, Indira (NIH/NCI)
shrivasi at mail.nih.gov
Thu Oct 9 20:05:01 CEST 2003
Hi Gromacs users,
I am doing some benchmarking for a dual processor xeon cluster.
I ran a 500 ps simulation on two xeons, with identical configuration
and compiled gromacs software, but I got different trajectories (as
seen in the rmsd's of the carbon alpha atoms from the two trajectories).
There was a difference of ~0.05 angstroms in the rmsd's at each time step.
Can someone tell me why there is this difference in the trajectories?
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