Thanks Daniel
this is my cpptraj version
CPPTRAJ: Trajectory Analysis. V13.17
___ ___ ___ ___
| \/ | \/ | \/ |
_|_/\_|_/\_|_/\_|_
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To cite CPPTRAJ use:
Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software for
Processing and Analysis of Molecular Dynamics Trajectory Data". J. Chem.
Theory Comput., 2013, 9 (7), pp 3084-3095.
Please let me know if you need any further information from my side.
On Sun, Sep 22, 2013 at 10:53 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Sun, Sep 22, 2013 at 5:13 PM, sudipta <sudipta.mml.gmail.com> wrote:
> >
> > /home/sudipta/AMBER/amber12/bin/cpptraj 3jzb_complex_solv.prmtop <
> ptraj.in
> >>ptraj.log
> >
> > where the ptraj.in contains
> >
> > trajin ../3jzb_protein_ligand_system_34.dcd
> > trajout 3jzb_protein_ligand_system_34.mdcrd
> >
>
> What version of cpptraj did you use to perform the conversion (i.e.
> what does 'cpptraj --version' report)? Older versions of cpptraj had
> some issues when processing DCD files.
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
> _______________________________________________
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>
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Received on Sun Sep 22 2013 - 20:30:02 PDT
