[AMBER] Bug in AmberTools12 cpptraj? 'trajout onlyframes' doesn't work

From: Marc van der Kamp <marcvanderkamp.gmail.com>
Date: Tue, 31 Jul 2012 14:24:01 +0100

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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 31 2012 - 06:30:03 PDT
Custom Search