Dear gromacs users, > > I am trying to do QMMM in the latest gromacs version :gromacs-4.5-beta2. > When I run DFT I got an error: > > number of CPUs for gaussian = 1 > memory for gaussian = 50000000 > accuracy in l510 = 8 > NOT using cp-mcscf in l1003 > Level of SA at start = 0 > Segmentation fault > > Please could you advice me on this? > > best, > Olga > >
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