Re: [AMBER] Tutorial - 3 / MM-PBSA

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Wed, 26 Apr 2017 17:26:51 -0400

I think the original paper explains a bit:
http://pubs.acs.org/doi/abs/10.1021/ct300418h

Hai

On Wed, Apr 26, 2017 at 5:19 PM, Marcelo Andrade Chagas
<andrade.mchagas.gmail.com> wrote:
> Dear from the AMBER list
>
> I have a basic question
>
> I am reproducing the tutorial
>
> http://ambermd.org/tutorials/advanced/tutorial3/
>
> *AMBER ADVANCED TUTORIALS*
>
> *TUTORIAL 3*
>
> *MM-PBSA*
>
> What's the difference in using the following scripts in the final part
> for interaction-free energy?
>
> *Perl Script mm_pbsa.pl <http://mm_pbsa.pl>*
>
> *Python Script MMPBSA.py*
>
> Best regards,
>
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

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Received on Wed Apr 26 2017 - 14:30:03 PDT
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