[gmx-users] Running a Demo Calculation

Raji Viswanathan raji at yu.edu
Wed Jun 19 17:26:58 CEST 2013


I recently installed gromacs-4.5.5 and attempted to run the demo calculation.  I did not get new xterm windows opened and also get the following error:

Starting Trajectory viewer...
ngmx: Command not found.
[1] 23192
[1]    Exit 1                        ngmx -f cpeptide_md -s cpeptide_md

I would appreciate your help in solving this.

Thanks.
Raji



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