In addition,
you can use NWChem using:
task scf optimize property
esp
recalculate
restraint harmonic
end
task esp
HTH
and
On 17/05/2017 10:27, Alessandro Contini wrote:
> Dear Jacopo,
> actually there is not an easier way, but there is a "different" way,
> that avoid the use of Gaussian, which is the use of the RED perl scripts
> (supporting GAMESS, which should be available for free). Alternatively,
> you can use the RED on line server.
>
> http://upjv.q4md-forcefieldtools.org/RED/
>
> Best regards,
>
> Alessandro
>
> Il 17/05/2017 10:11, Jacopo Sgrignani ha scritto:
>> Dear All
>> I would like to ask you if there are some 'easy' alternatives to generate
>> resp charges with
>> antechamber without using Gaussian.
>>
>> I had a look to the list but I'm not sure of the present situation because
>> some messages are quite old.
>>
>> In our lab we have some QM packages as Jaguar, Orca and I have experience
>> with Cp2k.
>>
>> Thanks in advance
>>
>> Jacopo
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
--
Andrea Spitaleri PhD
Computational mOdelling of NanosCalE and bioPhysical sysTems - CONCEPT Lab
ISTITUTO ITALIANO DI TECNOLOGIA
Via Morego 30, 16163 - Genova, Italy
https://iit.it/research/lines/computational-modelling-of-nanoscale-and-biophysical-systems
cell: +39 3485188790
https://iit.it/andrea-spitaleri
ORCID: http://orcid.org/0000-0003-3012-3557
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 17 2017 - 02:00:04 PDT
