On Mon, May 12, 2014, Valentina Romano wrote:
>
> CPPTRAJ: Trajectory Analysis. V13.22
> ___ ___ ___ ___
> | \/ | \/ | \/ |
> _|_/\_|_/\_|_/\_|_
> AmberParm Title: [default_name]
> Radius Set: modified Bondi radii (mbondi)
> INPUT: Reading Input from file PknGAde-wt-min.check_overlap
> [trajin PknGAde-wt-min.rst]
> [PknGAde-wt-min.rst] contains 1 frames.
> [checkoverlap]
Try adding the "reportfile overlaps.dat" to the checkoverlap command.
I'm always uncertain about when cpptraj writes things to stdout, and when
they go to one of the data files.
....dac
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Received on Mon May 12 2014 - 07:30:02 PDT
