And one trivial coin from me... Not only the random seed for the initial velocity distribution must be altered, but it is also very good to start from a significantly different set of coordinates.
Dr. Vitaly V. Chaban Виталий Витальевич ЧАБАН On Sat, Oct 4, 2014 at 11:15 PM, fatemeh ramezani <fr_...@yahoo.com> wrote: > Dear gmx-users > > I performed a MD simulation with gromacs software and after sending my > results to a journal, referee said > > "Simulations needs to > be repeated with different initial velocity (seed) to make sure that the > results are not simulation artifacts.It is needed to ensure that the > simulation represents true dynamics > of the system." > It is really need to I repeat my simulation (that is very time-consuming > process) or you can help me to providea compelling reason for not repeating. > > Thanks in advance > > Fatemeh Ramezani > -- > 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 gmx-users-requ...@gromacs.org. -- 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 gmx-users-requ...@gromacs.org.
