[gmx-developers] no mdrun commend in bin folder
mark.j.abraham at gmail.com
Tue May 5 12:20:54 CEST 2015
Indeed, the symlinks were a short-term convenience feature that were never
intended to remain in the long term. The virtues of a single wrapper binary
are discussed at length at http://redmine.gromacs.org/issues/685. We
appreciate the inconvenience to users of updating scripts and thinking from
"mdrun" to "gmx mdrun" but feel it is outweighed by the long-term benefit
to users from GROMACS being more friendly to distributions that might
package it. mdrun is a program name used by other packages, and forcing
package maintainers to come up with their own custom solutions, or give up
on GROMACS, is a worse solution.
On Tue, 5 May 2015 10:18 Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
> Hi Yukun,
> It was announced that the symlinks would not be made anymore in GMX 5.1.
> You'll have to use 'gmx mdrun'.
> On May 5, 2015 09:08, "Smart Eagle" <wangykoo at gmail.com> wrote:
>> Hi all,
>> I just install the GMX5.1 beta for test. But the installation process
>> didn't create the usual symbolic links, and there is no mdrun command in
>> the bin folder.
>> Where could I find the mdrun command?
>> Yukun Wang
>> Gromacs Developers mailing list
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