VMD-L Mailing List

From: OMAR NABEEL ALY DEMERDASH (ondemerdash_at_wisc.edu)
Date: Fri Jan 05 2007 - 16:03:12 CST

Hello,
I tried to use the GUI and the tcl command 'measure gofr' for measuring g(r) between sodium ions and the protein alpha
carbons and got the nonspecific error message: 'measure gofr: error during g(r) calculation'. What would be a common cause
of a failure to calculate g(r)? I should mention that I am running VMD1.8.5 on a Mac OS X version 10.3.9, and the VMD
webpage said that VMD1.8.5 is for versions 10.4.5 and later. VMD1.8.5 seems to be running OK for basic things like loading
molecules. Would the performance of certain newer utilities, such as measure gofr, be affected by the version of Mac OS X
that vmd is running on?
Thanks,
Omar Demerdash