[gmx-users] Problem with large number of frames only one frame can be read from trajectory bug ?

maria goranovic mariagoranovic at gmail.com
Tue Nov 23 16:22:52 CET 2010


I have a trajectory containing around 30,000 frames at 20 ps intervals. When
I try to read and analyze this trajectory, most gmx tools can read only one
frame. I do not know which one.

For example, g_density will read the entire trajectory, but will finally
report that :

read 1 frame from trajectory. calculating ...

When I compress the trajectory to one frame every 500 ps, the gmx tools run
fine.

It seems to be an overflow issue? Is this a bug ? If so, how can it be
fixed?

-

-- 
Maria G.
Technical University of Denmark
Copenhagen
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