(unknown charset) [AMBER] QM/MM optimization error
Hi all, when I use the gaussian and amber to optimization the structure in QM/MM, it appears error in the file of 1.out:" SANDER BOMB in subroutine get_gau_forces (qm2_extern_gau_module). ERROR with system call (executing Gaussian). Will quit now." Thank you in advance.
The file of the 1.in is following:
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Received on Sun Sep 07 2014 - 20:00:03 PDT