[gmx-users] Intel and GNU compiler

[David]

> > Topologies shall mean trajectory and end structure.
> If I use Cut-off instead of PME for coulomb (no FFT), the trajectories
> are the same.

It is actually more surprising that they are the same than that they
would be different, since small numerical differences quickly diverge.


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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