Re: [AMBER] SCC-DFT orbitals

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Mon, 1 Nov 2010 15:28:58 -0300

HI,

We just released Amber 11 this year, and Amber works on a 2 year
cycle, so we should expect it for 2012.

Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7417



On Mon, Nov 1, 2010 at 3:20 PM, arikcohen wrote:
> Hi Gustavo,
>
> Thanks a lot for your ultrafast response and above all for your help.
> By the way do you happen to know when is the next version suppose to
> come out ?
>
> Thanks
>
> Arik
>
> On 11/1/2010 4:30 AM, Gustavo Seabra wrote:
>> On Monday, November 1, 2010, arikcohen wrote:
>>> Dear Amber users,
>>>
>>> Is there a possibility to get as an output, the SCC-DFTB orbitals
>>> (coefficients) from amber while doing QM/MM ?.
>> Unfortunately, no. There's currently no way to print orbitals in DFTB
>> or any of the QM methods in Amber. This capability in development now,
>> and **may** be available Amber's next version.
>>
>> Gustavo.
>>
>
>
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>

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Received on Mon Nov 01 2010 - 12:00:03 PDT
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