[gmx-users] Installing Gromacs 4.6.3 using Cygwin

chem grad kelly.summers at usask.ca
Fri Dec 13 21:39:46 CET 2013

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.

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?

Thanks so much for your help,

From: Mirco Wahab [via GROMACS] [ml-node+s5086n5013319h57 at n6.nabble.com]
Sent: Friday, December 13, 2013 2:18 PM
To: Summers, Kelly
Subject: Re: Installing Gromacs 4.6.3 using Cygwin

On 13.12.2013 18:01, chem grad wrote:
> Thank you so much!
> Gromacs seems to be installed properly now.

but mdrun doesn't work, right?


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