Dear all I have a problem for equilibration of md simulation can anybody help me ?

Program mdrun_mpi, VERSION 4.6.2Source code file: /home/krishna/Software/gromacs-4.6.2/src/mdlib/pme.c, line: 828 Fatal error:1 particles communicated to PME node 3 are more than 2/3 times the...

07 July 2017 6,256 0 View