[Bio-linux-list] FW: GROMACS in Bio-Linux

[Tony Travis]

On 20/03/17 08:48, Timms-Wilson, Tracey wrote:
>  
> 
>  
> 
> *From:*Bishwajit Das [mailto:das.bishwajit at gmail.com]
> *Sent:* 18 March 2017 10:18
> *To:* Timms-Wilson, Tracey <tmt at ceh.ac.uk>
> *Subject:* GROMACS in Bio-Linux
> 
>  
> 
> Dear Prof. Tracey Timms-Wilson
> 
> I want to calculate free energy (MM-PBSA/MM-GBSA) in GROMACS, but I
> couldn't find GROMACS in your software list. So Please let me know
> whether GROMACS is available in Bio-Linux ? If no, then Please let me
> know the procedure to install GROMACS in Bio-Linux.

Hi, Bishwat.

Tracey forwarded your email to me and I'm copying my reply to the list
in case anyone else has the same problem. In fact, "GROMACS" is not part
of Bio-Linux - It's available in the standard Ubuntu repositories and
can be installed under Bio-Linux 8 (based on Ubuntu 14.04 LTS):

> rwt017 at wildcat:~$ lsb_release -d
> Description:	Ubuntu 14.04.5 LTS
> rwt017 at wildcat:~$ apt-cache policy gromacs
> gromacs:
>   Installed: 4.6.5-1build1
>   Candidate: 4.6.5-1build1
>   Version table:
>  *** 4.6.5-1build1 0
>         500 http://gb.archive.ubuntu.com/ubuntu/ trusty/universe amd64 Packages
>         100 /var/lib/dpkg/status
>      4.5.5-1 0
>         500 http://archive.ubuntu.com/ubuntu/ precise/universe amd64 Packages

HTH,

  Tony.

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