On Tue, Dec 2, 2014 at 6:56 AM, Seera Suryanarayana <[email protected]> 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. > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
