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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Received on Sun Sep 22 2013 - 20:00:03 PDT
