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.
Curriculum Lattes:http://lattes.cnpq.br/0777038258459931
ross_...@yahoo.com.br,rsoa...@fcfrp.usp.br
>________________________________
> De: Tsjerk Wassenaar <tsje...@gmail.com>
>Para: Suhaila Haji Mohd Hussin <bell_beaut...@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_beaut...@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.
>>
>> ------------------------------------------------------------------------------
>> 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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>> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
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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/
>_______________________________________________
>PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
>Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>
>
>
------------------------------------------------------------------------------
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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