[gmx-users] Re: QMMM, Segmentation fault

[Olga Ivchenko]

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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