[gmx-users] PME on a non-neutral system

[Albert Solernou]

Hi all,
I accidentally rerun a trajectory that is not neutral, but that has a 
net charge of +2e. However, the system did not explode and the forces 
were not infinite, although I used PME. Is Gromacs neutralising the 
system automatically?

Thanks,
Albert


-- 
---------------------------------
   Dr Albert Solernou
   EPSRC Research Fellow,
   Department of Physics and Astronomy,
   University of Leeds
   Tel: +44 (0)1133 431451