On Thu, Sep 26, 2019, Monika Choudhary wrote:
>
>Currently, I am working on a system that includes BMIM [BF4].
>But it is creating an error when I am trying to create the "frcmod" file
>for BF4.
Antechamber can't handle boron. But there is a tutorial on getting
parameters for BF4:
ambermd.org/tutorials/advanced/tutorial15/Tutorial2.xhtml
These are not guaranteed to be optimal paramters, so you might also want
to do a literature search to see if other BF4 parameters are available.
....dac
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Received on Thu Sep 26 2019 - 07:30:02 PDT
