Dera 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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