[Bio-linux-list] FW: GROMACS in Bio-Linux
Tony Travis
dr.tony.travis at gmail.com
Mon Mar 20 10:52:37 EDT 2017
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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