[gmx-users] 3.3.2 -b option not functioning as expected

Chris Neale chris.neale at utoronto.ca
Mon Apr 21 19:30:12 CEST 2008

Indeed, 3.3.3 works well. Thanks David and Berk.


Chris Neale wrote:
>/ Hello,
/>/ I find that trjconv and g_order 3.3.2 don't properly find the frame to 
/>/ which I would like to seek via -b. I initially discovered this based on 
/>/ the output to the command line from g_order about which frame is being 
/>/ processed, and I have further confirmed that the incorrect frame is 
/>/ actually getting processed by g_order. Since I believe that the routine 
/>/ for -b is common to all programs, I tested trjconv and it shows the same 
/>/ features. The frame is seekable by trjconv -b only with 3.3 and 3.3.1, 
/>/ but not with 3.3.2. The simple workaround is to go through trjconv -b -e 
/>/ with 3.3 or 3.3.1and then run g_order 3.3.2 without -b or -e.
I think it should work in 3.3.3, if not please file a bugzilla.
/ /

More information about the gromacs.org_gmx-users mailing list