Hi Reduce your timestep and see as it is suggested. Best
On Mon, Sep 17, 2018 at 5:48 PM Mario Andres Rodriguez Pineda < mand...@iq.usp.br> wrote: > Hi everyone. > I'm trying simulate a protein in water followin lysozyme tutorial using > gromacs 2016.3. When triying minimize the system after make the box and > insert a salt concentration the minimization has been stoped sendingme the > following error: > > step 16: One or more water molecules can not be settled. > Check for bad contacts and/or reduce the timestep if appropriate. > Wrote pdb files with previous and current coordinates > tMPI error: Receive buffer size too small for transmission (in valid comm) > Abort (core dumped) > > How i can fix it? > Thanks for your help. > > -- > *MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA* > *Estudiante Doctorado en Biotecnología* > *UNAL- MEDELLÍN * > -- > 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.
