[gmx-users] lincs warning
x.periole at rug.nl
Wed Jun 3 09:42:08 CEST 2009
I am experiencing some problems running a few proteins in water
with gmx-4.0.4 using 32 CPUs.
After some ns lincs warnings appear and eventually the simulation
to too many lincs warnings.
When restarting the simulation feeding "-cpi md.cpt" to mdrun the
fine and no lincs warning are reported on the same portion of the
simulation runs again for some ns and the same happens: new lincs
and eventually the simulation crashes again.
Any explanation for this? Any solution?
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