Hi all, I'm trying to extract coordinates from amber trj trajectory
file, but there are some steps with discontinuities (jumps). Could it be
related to periodic boundary conditions ?
I have tried to use ptraj with these options:
.........
center origin
image origin center
trajout outnew.trj nobox
but it doesn't work
Is there any way to recover the correct trajectory ?
The trajectory is correctly read by VMD and does not present any jump.
Thanks for your help
Andrea Giachetti
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Received on Tue Feb 14 2012 - 07:00:02 PST
