Hi everyone:
As you probably know, AmberTools 1.3 will have a "stand-alone" quantum
chemistry code that will carry out semiempirical and DFTB calculations.
I think this is likely to be of fairly wide interest, beyond just people
doing antechamber or QM/MM simulations.
I began calling this "sqm" (Stand-alone Quantum Mechanics), but have never
been happy with this name. Now is the time for *you* to make your mark by
suggesting a better name.
...thx...dac
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Received on Wed Nov 18 2009 - 09:00:03 PST
