Re: [gmx-users] stopping mdrun without error massage

2010-12-22 Thread Carsten Kutzner
Dear Karim, a (small) load imbalance is perfectly normal for a parallel simulation and no need to switch over to particle decomposition (both domain and particle decomposition should however work). Are you shure you get no error message? People will need some more information here to be able to he

[gmx-users] stopping mdrun without error massage

2010-12-22 Thread Mahnam
In God We Trust Hello Dear GMX users I want to do MD on one peptide in water with gromacs 4.5.3. I minimized and equilibrated my system in NPT and NVT for 50 ps , but when I do final mdrun it has load imbalance and when I try -pd option it stops after 265 ps without any error massage !, can ever