Dear Suheila,

GROMACS package runs at it maximum performance on a Linux environment, however you can indeed install it on a windows machine.
Sadly it is not so straightforward to just unzip some Gromacs program and use it....
Here's the instructions: http://www.gromacs.org/Documentation/Installation_Instructions/Windows
Since, under these conditions, integration with pymol may pose some challenge (as Dr. Wassenaar wrote), I'd recommend that you use a linux system, or a virtual machine.

Cheers,

Ricardo.

 

---
 
Ricardo O. S. Soares , PhD Student.
Group of Biological Physics - Department of Physics & Chemistry
Faculty of Pharmaceutical Sciences at Ribeirão Preto - University of São Paulo.
Av.do Café, S/N - ZIP:14040-903 - Ribeirão Preto, São Paulo,  Brazil.
Phone: +55 16 36024840.
 



De: Tsjerk Wassenaar <tsjerkw@gmail.com>
Para: Suhaila Haji Mohd Hussin <bell_beauty12@hotmail.com>
Cc: pymol-users@lists.sourceforge.net
Enviadas: Quarta-feira, 7 de Março de 2012 12:21
Assunto: Re: [PyMOL] How to install g_mdmat from Gromacs package into PyMOL

Hi Suheila,

That is really not straightforward under Windows. To run any Gromacs
tools under Windows, the preferred way to install is using Cygwin. But
that will pose a problem coupling to Pymol. I'd say you're out of
luck, sorry.

Cheers,

Tsjerk


On Wed, Mar 7, 2012 at 4:15 PM, Suhaila Haji Mohd Hussin
<bell_beauty12@hotmail.com> wrote:
> Hey everyone!
>
> If you go to this link below:
>
> http://www.pymolwiki.org/index.php/Contact_map_visualizer
>
> Under 'Generate Contact Map', it says that I need g_mdmat first from Gromacs
> package.
>
> I already downloaded gromacs-4.5.5.tar.gz assuming g_mdmat should be in
> there and just unzipped it.
>
> The problem is I don't know how to install gromacs-4.5.5 onto PyMOL
> directory? Please help.
>
> P/S: My PyMOL is running on Windows 7 and My python is 2.7.
>
> Cheers,
> Suhaila.
>
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--
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands

------------------------------------------------------------------------------
Virtualization & Cloud Management Using Capacity Planning
Cloud computing makes use of virtualization - but cloud computing
also focuses on allowing computing to be delivered as a service.
http://www.accelacomm.com/jaw/sfnl/114/51521223/
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