[gmx-users] Why the rmsd value has been varied from different hardware for same protein?

[Mark Abraham]

On Tue, Dec 2, 2014 at 6:56 AM, Seera Suryanarayana <palusoori at gmail.com>
wrote:

> Dear Gromacs Users
> I have done simulation of one protein in different computers such as
> GPU(tesla C2075), cpu and cluster(two different nodes with 32 processors)
> for 5ns. I got different rmsd values for the same protein, but I used same
> minimized structure in all the computers. My question is what could be the
> reason for the different rmsd? You can find the rmsd graph in the
> attachment.
>

Please see http://www.gromacs.org/Documentation/Terminology/Reproducibility

Mark


> Surya
> Graduate student
> India.
>
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