[gmx-users] Installing Gromacs 4.6.3 using Cygwin

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Fri Dec 13 22:02:42 CET 2013


On 13.12.2013 21:38, chem grad wrote:
> 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?

No. There are some problems yet to solve.

1) the DLL problem
2) the source problem
3) the tMPI problem of mdrun




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