[gmx-users] Re: server_for_Gaussian

[Diego Enry]

You can benefit from the WebMO server. It will not run very
"expensive" jobs but is a handy !

http://www.webmo.net/

Support for Gamess 1999+, Gaussian 94/98/03/09, MolPro 2002/2006/2009,
Mopac 7/93/200X, NWChem 4/5, PQS 3.3, PSI 3+, QChem 2/3, and Tinker
4/5

On Thu, Feb 10, 2011 at 12:43 PM, Thomas Schlesier <schlesi at uni-mainz.de> wrote:
>
>>
>> Message: 2
>> Date: Thu, 10 Feb 2011 16:10:45 +0530
>> From: shahid nayeem<msnayeem at gmail.com>
>> Subject: [gmx-users] server_for_Gaussian
>> To: Discussion list for GROMACS users<gmx-users at gromacs.org>
>> Message-ID:
>>        <AANLkTi=tnoDNjPAsYL_GAOGC-iHFvAXQ=dYi17=wBrvM at mail.gmail.com>
>> Content-Type: text/plain; charset=ISO-8859-1
>>
>> Dear All
>>
>> If any one is aware of a server on which one can upload job for
>> running Gaussian, Please let me know. This I need to modify charges in
>>  the topology file created by ProDrg server.
>> Shahid Nayeem
>>
>
> here is one:
> http://q4md-forcefieldtools.org/REDS/
> you can also directly calculated there resp charges. But if you use resp
> charges, it would be better to also change the force-field (since
> gromos-ff's are for their empirical charges and not resp-charges).
> you could use for example amber's gaff force-field, which uses resp charges.
> see amber/gaff page for more information.
>
> greetings
> thomas
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Diego Enry B. Gomes
Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.

/home/temp @ Ecole Normale Superieure de Cachan, France