Dear Subscribers,
I am having a challenge with running QM/MM calculations interfacing Amber
with Gaussian09.
This error kept popping up:
SANDER BOMB in subroutine get_gau_forces (qm2_extern_gau_module)
Error with system call (executing Gaussian)
Will quit now.
My input file looks like:
Example QM/MM input for Sander-12 - Gaussian interface
&cntrl
imin=1,
maxcyc=10,
ntb=1,
cut=20,
ifqnt=1
/
&qmmm
qmmask='.1558-1576,5576-5597,7914-7967',
qmcharge=0,
spin=1,
qm_theory='EXTERN',
qm_ewald=0,
qmcut=20,
/
&gau
method = 'B3LYP',
basis = '6-31G',
/
Looking forward to cool solution(s).
Regards,
Monsurat.
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Received on Thu Oct 13 2016 - 13:00:03 PDT
