[gmx-users] g_sorient HELP!!!
gmx3 at hotmail.com
Wed Oct 29 10:02:01 CET 2003
>Thanks for the help. I still get strange results for the configuration I
>described. I see a contribution at 22.5 and 139.5. I would expect 0 or 180
>and not both. What do you think is going on?
I don't understand why you get two peaks.
Or is this not with the gro file you sent before, but with a trajectory?
The contribution at 22.5 should be at 4.5, which is also the bin for 0, this
is due to the bug I described before.
It is better to fix this bug before spending more time on interpreting
To fix the bug remove the +1 after acos(inp) on line 200 of
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