Dear all,
I used Gromacs-3.3.1 to simulate a small protein in water.
I have used 2 and 16 CPUs to do the simulation respectively. But
I got the RMSD of the protein equilibrated to 0.15 nm in the 2 CPUs
simulation and 0.20 nm in the 16 CPUs one. Are these differences
reasonable?
In the 16 CPUs
DeChang Li wrote:
Dear all,
I used Gromacs-3.3.1 to simulate a small protein in water.
I have used 2 and 16 CPUs to do the simulation respectively. But
I got the RMSD of the protein equilibrated to 0.15 nm in the 2 CPUs
simulation and 0.20 nm in the 16 CPUs one. Are these differences
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