[gmx-users] Problems Running Gromacs v-5.0.4

Stephen P. Molnar s.molnar at sbcglobal.net
Wed Feb 18 17:33:22 CET 2015

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 

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.

Pointers towards solutions will be much appreciated.

Thanks in advance.

Stephen P. Molnar, Ph.D.                Life is a fuzzy set
Foundation for Chemistry                Stochastic and Multivariate
Skype:  smolnar1

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