[gmx-users] Double precision gives infinite force while single doesn't

[Alexey Zeifman]

Hi!
When I'm using double precision calculations, for instance minimization with mdrun_d, I receive infinite forces on the 1 atom each time. But running simple mdrun with quite the same parameters results in normal minimization. I've compiled source code of gromacs-3.3.3, gromacs-4.0 and i always have this problem. Maybe there's some hints for compiling double precision version in Mandriva 2008? 
Thank you, Alexey Zeifman