Hi, Repeating: how small a step is small enough to suppress the drift?
Mark On Wed, Aug 20, 2014 at 10:42 PM, Xiaobin Cao <x...@lsu.edu> wrote: > Hi, Mark. I tested my system today with NVE and time step =1fs and 0.5fs. > The drift still exists. I didn't test the system by double precision > GROMACS yet. > > Thank you. > > _____________________________________________ > Xiaobin Cao > Dept of Geology & Geophysics > E235, Howe-Russell Geosciences Complex, > Louisiana State University, Baton Rouge, LA 70803, U.S.A. > > -- > 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.
