I want to simulate a small peptide that is a mixture of non-standard and standard amino acids. How can I run a trajectory in Gaussian where the standard amino acids use the Amber force field and the non-standard amino acids use something else like AM1 or DFT? Is there a way a modified version of the following input would work?
# admp oniom(AM1:Amber) maxpoints=1000 maxsteps=100000
Also, I am struggling to run even a normal admp trajectory in Gaussian. Can anyone see why this input line gives me an error?
# admp am1 maxpoints=1000 maxsteps=100000
Other non-related methods for running a QM/MM simulation are also welcome!
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