Re: [AMBER] BORON parameters

From: David Case <>
Date: Thu, 26 Sep 2019 14:09:29 +0000

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:

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.


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Received on Thu Sep 26 2019 - 07:30:02 PDT
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