Hi everyone,
Is it possible to treat atoms differently (in terms of basis set) in
QM/MM module of AMBER (with Gaussian).
By this i mean can i use higher basis set (like LDD ) for ions and 6-31G
for others in the QM region.
This is possible in Gaussian by specifying it at the end of the input.
But how can it be done using QM/MM interface of sander with Gaussian. Is
there any keyword i have missed.
Regards
Abhilash
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Received on Sat Feb 23 2019 - 04:30:02 PST
