On 2/27/15 4:01 PM, Stephen P. Molnar wrote:
The original of this message was sent on 2/18. To date it has greeted freeted
with thundering silence. I would really appreciate an answer, even if no
solution is readily apparent.
I have compiled and installed Gromacs v-5.0.4 (rather than using the
version bundled with the distribution() in RoboLinux 7.81. without any
warning or error messages.
However, I have encountered problems running gmxdemo. Although I get
the message "Display variable is set" I see a flash, but the window does
not stay open. However, I do get the final display of the box and the
simulation.
Probably my first question is how are you running gmxdemo? It was removed from
the source code in 2012...before version even the release of 4.6-beta1.
The second problem probably involves permissions. If I run the demo as
the superuser, (RoboLinux does not allow the enablement of the root
during the installation) The demo runs to completion without problems,
other that the one of the vanishing window.
Running gmxdemo as the superuser generated 39 files (including gmxdemo
and cpeptide.pdb) while running as a user generates 23 files.
Depends on where GROMACS is installed and what you've done to get gmxdemo
running. FWIW, it was removed because it wasn't useful and no one wanted to
maintain it. If it's not working, the solution is to find better tutorial
material, as suggested in README.tutor :)
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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