[gmx-users] Installing g_mdmat from Gromacs analysis package

Justin A. Lemkul jalemkul at vt.edu
Sun Mar 11 23:09:33 CET 2012

Suhaila Haji Mohd Hussin wrote:
> Hello.
> Newbie here.
> Trying to get g_mdmat working on PyMOL on Linux Virtual Machine 
> (Ubuntu). But obviously first I need to install Gromacs since it has 
> g_mdmat, right (Correct me if I'm wrong)? 
> The problem is I went 
> to http://www.gromacs.org/Documentation/Installation_Instructions to 
> read the instructions but it's just too much & confusing. I just 
> basically need g_mdmat.
> Can you help how to do this a bit faster please?

It's probably just faster if you install all of Gromacs with the instructions 
above.  If you want an individual tool, you'd have to create a Makefile for it, 
which may require dependencies of other Gromacs library functions. Thus without 
an in-depth knowledge of how Gromacs works and is compiled and linked, you'd 
probably end up wasting 10 times the effort trying to install one tool rather 
than following the step-by-step instructions provided online.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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