AMBER Archive (2004)

Subject: RE: AMBER: amber 8 under windows XP

From: Ross Walker (
Date: Wed May 26 2004 - 14:03:54 CDT

Dear Adrian,

I have tried this with a few of the programs in the Amber suite, namely
ptraj and carnal and have got them to work by including the relevant cygwin
dll files in the same directory as the executable. This should in theory
work for any amber program that you managed to get running under cygwin. As
far as I know the only dll you need is the cygwin1.dll although there may be

Alternatively you can compile static versions of the amber software using
Visual and the intel fortran compilers for windows. I have this
working with Sander quite successfully. However, it is fairly tricky to get
to work as you need to go through and make sure every piece of Fortran 90
code ends in .f90 instead of .f. The Fortran 77 code needs to stay as .f.
You also need to work out what source files you need and the order they need
to be built. However, it is not impossible. The quickest method I found was
to run it all through the pre-processor on a linux box and then copy over
the _*.f files into a single visual studio project.

If you just want a quick solution though then including the cygwin1.dll file
with a cygwin executable is probably the best way to go.

I hope this helps.
All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

> -----Original Message-----
> From:
> [] On Behalf Of Adrian E. Roitberg
> Sent: 26 May 2004 11:50
> To:
> Subject: AMBER: amber 8 under windows XP
> Dear All,
> For a particular application I need to compile amber8 under a
> windows XP
> setting. I can do this in my own machine under cygwin and works fine
> (with lahey's f90 compiler)
> Now, I need to take that compiled code and run it under DOS in a
> different machine WITHOUT cygwin installed. This is supposedly doable.
> Does anyone have any experience with this ?
> Thanks !!!
> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project and Department of Chemistry
> University of Florida PHONE 352 392-6972
> P.O. Box 118435 FAX 352 392-8722
> Gainesville, FL 32611-8435 Email
> ==============================================================
> ==============
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