Hi, As it says, your time step is too large to be a valid model of that bond interaction. Where did it come from?
Mark On Mon., 15 Jul. 2019, 10:32 Bratin Kumar Das, <[email protected]> wrote: > Dear All, > I am getting the following error during running REMD > The bond in molecule-type Protein between atoms 49 OH and 50 HH has an > estimated oscillational period of 9.0e-03 ps, which is less than 5 times > the time step of 2.0e-03 ps. > Maybe you forgot to change the constraints mdp option. > What could be the reason..... > -- > 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].
