Hi
Yes for PB. I would be substantially more careful with GB.
adrian
On 9/12/16 6:28 AM, Jason Swails wrote:
> On Mon, Sep 12, 2016 at 6:15 AM, Elvis Martis <elvis.martis.bcp.edu.in>
> wrote:
>
>> Hello,
>> Is it possible to use any value other EXDI = 80 as external dielectric
>> constant (for example EXDI = 36; for acetonitrile) for computing binding
>> energy with PB?
>>
> Yes, have you tried?
>
>
--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Sep 12 2016 - 08:30:03 PDT
