Hi Yun, For comparison, the conditions have to be equal. That does not include possible hardware issues. So you should be fine.
Cheers, Tsjerk On Oct 11, 2011 4:41 AM, "Yun Shi" <[email protected]> wrote: Hi Justin, I guess you are right, that some processors on that cluster appear to be much slower than others. But I am still wondering that, would the difference in initial maximum inter charge-group distances (0.451 nm vs 0.450 nm) and minimum initial size of DD gird (0.620nm vs 0.618nm) make the two simulations NOT comparable? Because I want to compare the interactions of two different ligands with the same protein. Thanks, Yun -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
