Re: [AMBER] Regarding trajectory analysis using CPPTRAJ

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Fri, 26 Feb 2016 02:44:32 -0800

Perhaps prod_dry.mdcrd has been truncated? Is the last line

  54.051 32.808 49.526 54.909 33.095

?
Bill

On 2/26/16 2:38 AM, Sivanandam M wrote:
> Dear AMBER users,
> I analysed one MD trajectory file using
> CPPTRAJ module. That job gives the following error. Please advice me to
> rectify this problem.
>
>
>
> CPPTRAJ: Trajectory Analysis. V14.25
> ___ ___ ___ ___
> | \/ | \/ | \/ |
> _|_/\_|_/\_|_/\_|_
> Reading 'c1-lig.prmtop' as Amber Topology
> INPUT: Reading Input from file strip3.in
> [trajin prod_dry.mdcrd]
> Reading 'prod_dry.mdcrd' as Amber Trajectory
> Error: In prod_dry.mdcrd, expect only 3 or 6 box coords, got 5
> Error: Box line=[ 54.051 32.808 49.526 54.909 33.095
> ]
> Error: Could not set up prod_dry.mdcrd for reading.
> Error: Could not set up input trajectory 'prod_dry.mdcrd'.
> 1 errors encountered reading input.
> TIME: Total execution time: 0.4008 seconds.
>
> --------------------------------------------------------
> M.SIVANANDAM
> Research Scholar
> Department of Physics
> School of Physical Sciences
> Periyar University
> Salem-636 011
> Mobile- 9965582730, 9042066076
> --------------------------------------------------------
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> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Fri Feb 26 2016 - 03:00:08 PST
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