Dear Jason
i am trying your suggestion....
I'll let you know.
Vale
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Valentina Romano | PhD Student | Biozentrum, University of Basel & SIB Swiss Institute of Bioinformatics
Klingelbergstrasse 61 | CH-4056 Basel |
Phone: +41 61 267 15 80
________________________________________
From: David A Case [case.biomaps.rutgers.edu]
Sent: Monday, May 12, 2014 3:59 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Analysis of minimization stage
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 - 07:30:03 PDT
