On Tue, Sep 11, 2012, 旭东 肖 wrote:
> Recently, I was running the POL3 bulk water using amber11, though i
> can pass the minimization, when i run the NVT simulation, something
> strange happened..
You might try looking at the files in amber12/test/test_leap_ff11. These are
not run by default, but the "RUN" and "RUN.ARD" scripts there test pol3. You
might see if those work, and (if so) how they are different from your input
files.
...good luck...dac
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Received on Fri Sep 14 2012 - 07:30:03 PDT
