I mean QEq below...
> If you have delocalized charge density, is expected to fail.
>
> --
> Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
> Univ. Rochester, Rochester, New York 14627-0216
> THE UNITED STATES OF AMERICA
>
>
> On Tue, Nov 15, 2011 at 3:27 PM, Changwoo Do <dokira.gmail.com> wrote:
>> Hi all,
>>
>> If I use QEq method for charge calculation for my polymer and run
>> MD-simulation, would it be wrong? or would it be compeletely different
>> from the RESP charge method?
>>
>> Thank you
>
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Received on Tue Nov 15 2011 - 14:30:03 PST
