[AMBER] QM/MM - gaussian interface query

From: Abhilash J <md.scfbio.gmail.com>
Date: Sat, 23 Feb 2019 17:32:31 +0530

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.


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Received on Sat Feb 23 2019 - 04:30:02 PST
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