[gmx-users] Installing Gromacs 4.6.3 using Cygwin

Justin Lemkul jalemkul at vt.edu
Fri Dec 13 22:17:01 CET 2013

On Fri, Dec 13, 2013 at 3:38 PM, chem grad <kelly.summers at usask.ca> wrote:

> Actually... yes, I may have spoken too soon... I can see Gromacs on my
> machine, but I am still struggling to get it to run properly.
> I cannot convince cygwin to source the gromacs files properly (well, at
> least I think that's the problem). When I enter "luck" into the command
> line it returns the "luck: command not found" error message.
"luck" does not exist any more; it is named "g_luck" now.

> Also, both commands I have entered (pdb2gmx and mdrun) have returned the
> following error:
> /usr/local/gromacs/bin/pdb2gmx.exe: error while loading shared libraries:
> cyggmxpreprocess-8.dll: cannot open shared object file: No such file or
> directory
> Maybe I was not as successful as I thought with the install?
Well, the installation succeeded, but now you likely have to configure your
environment to find the libraries.  I honestly have no idea on how to do
that on Windows.  If it were Linux... ;)




Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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