[gmx-users] with PME pot. energies = nan !! - Is that FFTW ??

Arturas a3arzi at vaidila.vdu.lt
Fri Sep 24 12:25:02 CEST 2004


I have managed to find that using PME for electrostatics energies are
not produced, e.g. making energy minimisation potential energy = nan.
Other 'coulombtype' options works fine.

Can this be related to old FFTW version if GROMACS was reinstalled ?
Is there anything more about that ?

w best

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