[gmx-users] errors depending on (lack of) solvent

Erik Lindahl lindahl at csb.stanford.edu
Mon Jan 26 16:59:00 CET 2004

> So, isn't there a way to run parallel simulations of a single molecule
> on 2 or more machines?
Yes, it's possible if you don't constrain all bonds. It's pretty common 
in the literature to constrain only bonds with hydrogens for this very 

We might implement a parallel constraint solver, but I doubt it will be 
useful apart from testing stuff since it will involve extra 
communication (reducing performance).



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