[gmx-users] Re: MS windows compatability

[Erik Lindahl]

On Tuesday, Feb 18, 2003, at 23:49 US/Pacific, 
Bjorn.Sveinbjornsson at colorado.edu wrote:

> As I understand from the GROMACS description, this software can run on 
> any
> machine.  GROMACS should run on a Intel-Windows computer, but all I 
> see is
> Linux and Mac OS in the list.  Could someone enlighten me regarding 
> this matter.
>

Hi Bjorn,

The list only accepts mail from subscribers to protect it from spam, 
but I'll forward this mail.


Gromacs works under windows, but none of the developers use it as a 
primary platform, so it is less supported than other systems. It should 
still work, but we won't update the windows distribution for minor 
changes.

There is a binary WIN32 package available on our website, and you can 
find all project files for the Microsoft developer environment in the 
developer directory on ftp.gromacs.org. Of course it also compiles 
under CygWin, using the normal ./configure unix-style setup.

I have ported our unix compressed trajectory format routines to 
windows, so all trajectories should be identical and portable.

Some of the tools in gromacs produce files intended for the 
Xmgr/Xmgrace graphing programs, but in order to use Grace you probably 
need to install an X server in windows first.

> Another question is regarding the applicability of GROMACS for simple 
> small
> molecule fluid flow, i.e. water, helium, etc.

It works great for all sorts of different water models. Haven't tested 
the Helium parameters myself in the biomolecular forcefields myself, 
but for Helium it should just be matter of changing two Lennard-Jones 
parameters, so it is trivial to implement any parameters you need.

Cheers,

Erik