Dear amber users,
Greetings,
I am trying to run Amber-Gaussian qm/mm simulation on my system. When I
tried to run simulation using sander, I get the following error in the
final line of the output file. I followed the gaussian tutorial to set up
the system. Any help would be highly appreciated.
SANDER BOMB in subroutine get_namelist (qm2_extern_gau_module)
&gau namelist read error
Please check your input.
My input file contains following parameters:
#Initial minimization of our structure
&cntrl
imin=1
maxcyc=3000
ncyc=1500
cut=10.0
ntb=1
ntc=2
ntf=2
ifqnt=1
&end
&qmmm
qmmask=':93,258'
qmcharge=-1
qm_theory='EXTERN'
qm_ewald=0
&end
&gau
method=B3LYP
basis=6-31G**
&end
Thanking you in advance.
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Received on Tue Apr 25 2017 - 17:00:02 PDT
