[gmx-users] simulation error
Mario Andres Rodriguez Pineda
mandres at iq.usp.br
Tue Sep 18 00:47:48 CEST 2018
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
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 *
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