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

[Mahendra Modi]

Hi all,

Tony described the easiest way to install Gromacs on biolinux. However,
using simple consumer Nvidia GPU cards like GTX 1050Ti, ($150) one can
speed up Gromacs considerably. In this case it is better to install Gromacs
5 current stable version following the quick & dirty installation guide
available on Gromacs website. It doesn't break any other bio-linux package.

Mahendra K Modi

On Mar 20, 2017 20:22, "Tony Travis" <dr.tony.travis at gmail.com> wrote:

> 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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