[gmx-users] GROMACS on Windows

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 16 21:04:28 CEST 2002

On Tue, 16 Apr 2002, Peter Murray-Rust wrote:

>I am interested in compiling GROMACS under Windows so as to make minor 
>modifications to the code (to produce XML and CML output for re-use). Anton 
>Feenstra suggested I should mail this list. Are there ports of GROMACS to 
>windows? I use gcc and would prefer a final makefile that I can edit rather 
>than the ./configure approach. I have no need of graphics as the program 
>will be run in batch mode.

I think the latest release will compile under Windows as well, IRIC with
both Cygwin and MS tools. I am currently working on creating XML data
formats using the libxml2 library. (src/gmxlib/xmlio.c is very primitive
and not functional in the 3.1 release, in CVS it is beginning to get
somewhat more complete). The main effort goes into creating DTDs right

If you don't want to use configure you can ofcourse make your code
conditional (#ifdef) and compile with certain CPPFLAGS and LDFLAGS.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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