Thank a lot for your suggestion. Tuong VY
2015-05-22 20:21 GMT+09:00 Mark Abraham <mark.j.abra...@gmail.com>: > Hi, > > Start by learning what makes a time step stable, e.g. manual 6.8 > > Mark > > On Fri, May 22, 2015 at 10:51 AM Vy Phan <phanvy120...@gmail.com> wrote: > > > Dear Gromacs Users, > > When I run npt equilibrium, I set the step size is 4fs. I go many LINCS > > WARNING > > "bonds that rotate more than 30 degrees" > > > > > > When I reduce the step size to 2fs. All thing is fine. > > > > Could someone here explain to me? > > Finally, I want to use step size is 4fs. Any suggestions for me? > > > > Thank you > > Tuong Vy > > -- > > 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. > -- 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.