On Mon, Sep 16, 2019, 조준범 wrote:
>How can I make the initial configuration and topology with polarizable
>force field? In manual, this topic isn't mentioned.
You would use a polarizable leaprc file, like leaprc.protein.ff12pol, at
the tleap step. Beyond that, the workflow is pretty much the same as
for a non-polarizable force field.
Be aware that force fields like ff12pol are rather old, and not widely
used (as far as I am aware).
....dac
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Received on Mon Sep 16 2019 - 05:30:02 PDT
