On Mon, Nov 21, 2016, 冯国强 wrote:
> I want to chage the dielectric constant to 5 in the electrostatic energy
> term， and can I change the value of charges in top file? And then is
> each atom’s charge divided by sqrt(5)?
Yes: you can do this most easily by using the "scale" command in parmed.
But I can't (won't) avoid warning that this will mess up the balance of the
force field, and may lead to results that are difficult to understand.
....dac
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Received on Sun Nov 20 2016 - 13:00:02 PST
