Carla Jamous skrev 2010-10-15 12.05:
Hi everyone,
please I need some help on g_hbond.
I concatenated 3 trajectories. I ran g_hbond on the concatenated
trajectory. I got the result of h_bonds.
Then I wanted to run g_hbond on each of my 3 trajectories. Here, I get
a different result, it means: if I take the first 10ps of my
concatenated trajectory and I run g_hbond on these 10ps. I get some
H-bonds eg. Gly(N)...H(gly)...O
but this same H-bond doesn't
appear in the first 10ps of my concatenated trajectory's HBmap.
Please does anyone have an idea where I might have done a mistake?
Thank you,
Carla
Have you confirmed that the concaternation was done the way you intended?
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