[gmx-users] An conda package for installing gromacs 4.5.5 on 64-bit

蕭毅 hsiaoyi0504 at gmail.com
Fri Jan 19 10:10:30 CET 2018

Hi James, Joao:

Thanks for your reply. I know the 4.5.5 is a old version, but I found some
useful paper used this version, and some of my work in graduate school is
based on the method developed on this version. At the same time, my work is
a stand-alone software application. I had a hard time trying to simplify
the procedure to building the enviroment needed by my software application,
so I initially developed this to solve some of the headache and thought
that it might be helpful to other people who also want to build
applications based on gromacs. I can also try to provide packages for newer
version of gromacs, but I left the gromacs for a while. What are the most
few important versions that you think I should support first ?

Best regards,
Leo (Yi Hsiao)

Date: Fri, 19 Jan 2018 09:19:17 +0100
From: Jo?o Henriques <joao.m.a.henriques at gmail.com>
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] An conda package for installing gromacs 4.5.5
        on 64-bit linux system
        <CAHv45qMpgsEiWo4Gfr+3-8ni8H+wDJPCfG51ukN5Vvt32m2t=Q at mail.gmail.com>
Content-Type: text/plain; charset="UTF-8"

Exactly, that version is 7 years old or so. It's a good initiative
nonetheless, just wished it offered a more recent version.


On Fri, Jan 19, 2018 at 6:08 AM, James Krieger <jamesmkrieger at gmail.com>

> Why 4.5.5?
> On Thu, Jan 18, 2018 at 11:26 PM, ?? <hsiaoyi0504 at gmail.com> wrote:
> > Hi gromacs users:
> >
> > I just wrote this to share that I write a conda package let you to
> install
> > gromacs 4.5.5 on 64-bit linux system:
> > https://anaconda.org/hsiaoyi0504/gromacs
> >
> > The objective of this package is to let people build applications based
> on
> > gromacs more easier, such as prediction system based on result produced
> by
> > gromacs. Some similar work for gromas 4.6.5 is in bioconda:
> > https://anaconda.org/bioconda/gromacs. If you have any question or
> > suggestion, you can email me or leave message on issue system of repo
> > the source code to build the conda package.
> > https://github.com/hsiaoyi0504/conda_gromacs_4.5.5.
> >
> > Best regards,
> > Leo (Yi Hsiao)

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