[gmx-users] Install Gromacs from Debian/Ubuntu repository vs build from source

[paul buscemi]

In addition to Justin’s comments, the repository version is not adapted to GPU/CUDA  use and as such is good for only very small systems and so loses one of the great advantages over other MD programs. I is not bad as an introduction  to Gromacs  so do not be  afraid of installing, working with it and later removing to then install the source version.  However, following the install instructions for the source version, installation is quite smooth.

Paul

> On Dec 19, 2018, at 5:58 PM, Zhang Shenqiu <Shenqiu.Zhang at outlook.com> wrote:
> 
> Dear Everyone,
> 
> I am a beginner to Gromacs, and found Gromacs can be installed with apt-get install gromacs on Debian/Ubuntu. But I hesitate to use it because this option is not listed or mentioned in the installation guide. http://manual.gromacs.org/documentation/2018/install-guide/index.html
> 
> I wonder if I am at a disadvantage of using apt-get install, especially regarding the CUDA functions. I have searched "The gromacs.org_gmx-users Archives" from December 2018 to September 2016, and couldn't find any discussion on it.
> 
> Many thanks,
> 
> Shenqiu
> 
> 
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