I've recently been running a lot of one-dimensional HREMD (-rem 3) with
PMEMDGTI. I started to notice certain analysis scripts failing and traced
it back to a cpptraj segfault whenever one (and only one) REMD trajectory
is read in - literally
$ cpptraj -p prmtop -y mdcrd
Segmentation fault (core dumped)
I added -debug 999 and it looks like the trajectory is actually
successfully read and closed and _then_ the segfaults occurs.
Suggestions? Is this bc of some automatic response to REMD annotations? Is
there a way to suppress that response? My only goal here is to do basic
imaging and centering before extracting a frame. I don't actually have
interest in the REMD data itself.
Cheers,
Brian
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Received on Fri May 14 2021 - 08:30:02 PDT
