[gmx-users] GROMACS on CYGWIN

Mark Abraham mark.abraham at anu.edu.au
Fri Jun 11 01:18:17 CEST 2010

----- Original Message -----
From: Nasim Biglari <nasimb88 at yahoo.co.uk>
Date: Friday, June 11, 2010 2:51
Subject: [gmx-users] GROMACS on CYGWIN
To: gmx-users at gromacs.org

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> Dear all,
> I was wondering whether GROMACS on CYGWIN is less capable than GROMACS run on LINUX?
>  i.e. concerning its speed and its ability to simulate larger macromolecules. I assume that it is faster, but is it very much different?

GROMACS will run fine, and do approximately the same under either OS on comparable hardware with the same version of gcc, however for production simulation to be maximally effective you need to arrange for the simulation process not to be interrupted much. This is easier to arrange on Linux than Windows. You certainly don't want to be concurrently using either kind of machine as a desktop, and also you'd prefer not to be logged on to either machine.


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