Hi all,
I was trying out the 'onlyframes' option of trajout in cpptraj for the
first time today.
With cpptraj from AmberTools12, I could not get a trajectory to write, with
no error message listed in the output. I applied all patches available this
morning, recompiled but the issue remained.
Going back to AmberTools1.5 cpptraj, I could get a trajectory to write,
with the exact same input. (So I've got a workaround: just use
AmberTools1.5 cpptraj.)
This is the trajout line I tested with:
trajout test.mdcrd onlyframes 1,5,6-8
This was the relevant information in the output of AmberTools12 cpptraj:
> [trajout test.mdcrd onlyframes 1,5,6-8]
Saving frames 1 5 6 7 8>
...
OUTPUT TRAJECTORIES:
[test.mdcrd] is an AMBER trajectory, Parm 0: Writing frames 1 5 6 7 8
And this the equivalent information in the output of AmberTools1.5 cpptraj
> > > [trajout test.mdcrd onlyframes 1,5,6-8]
Saving frames 1 5 6 7 8
...
OUTPUT TRAJECTORIES:
[test.mdcrd] is an AMBER trajectory, Parm 0 (with box info)
Is this a bug in AmberTools12 cpptraj?
Thanks,
Marc
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Received on Tue Jul 31 2012 - 06:30:03 PDT
