Re: [AMBER] SCC-DFT orbitals

From: arikcohen <>
Date: Mon, 01 Nov 2010 11:20:39 -0700

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 ?



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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Received on Mon Nov 01 2010 - 11:30:03 PDT
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