On Mon, Oct 20, 2014, 王璇 wrote:
> I'm trying to generate mol2 file using antechamber( there is a boron
> atom in my input file), but it shows the following sentence :the best
> APS is not zero, bonds involved by this atom are frozen. I wonder
> whether there is the parameters for boron atom in the Amber force
> field. How should I do next? Hoping for your answer ASAP.
I think you are on your own: antechamber does not support boron.
....dac
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Received on Mon Oct 20 2014 - 05:30:02 PDT
