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.
