Hi
you have tried to get by this server?
Currently has the most widely used acid and fast
Best regards
http://upjv.q4md-forcefieldtools.org/RED/
I will create a tutorial in the coming days if you have time,
and available on the page of my collaboration group.
Try to see examples
Marcelo
Marcelo Andrade Chagas, MSc
(PhD student)
Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
*
http://lqcmm.qui.ufmg.br/
Departamento de Química da Universidade Federal de Minas Gerais - UFMG
Tel:(31)3409-5776
2016-03-09 5:36 GMT-03:00 Jesmita Dhar <dhar.beauty.gmail.com>:
> Dear sir/madam,
> I want to create a parameter file for graphene oxide. But due to its
> huge structure antechember can not create the paramater file. So we
> select a unit from the graphene oxide. The selected unit would be
> optimized in gaussian with RESP prereq as I want to use the gaussian
> output to get RESP charges and Gaff atom types in ANTECHEMBER. I have
> run optimization in gaussian 09 software. But can not able to calculte
> RESP. Is it possible to get RESP charge from antechember? If yes, what
> should be command.Here I am attaching the optimized pdb file of
> graphene oxide. Please help..
>
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>
>
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Received on Wed Mar 09 2016 - 05:00:03 PST
