Hi,
Writing box coordinates to PDB files is not supported by current
cpptraj versions. It will be supported (via a CRYST1 record) in
cpptraj version 15, part of the upcoming AmberTools 15 release.
-Dan
On Mon, Apr 20, 2015 at 9:00 AM, CHAMI F. <fatima.chami.durham.ac.uk> wrote:
> Dear all
> I am using the following version of cpptraj to output a pdb files from an mdcrd trajectory file containing box coordinates
> CPPTRAJ: Trajectory Analysis. V13.22
>
> so I run the following
>
> cpptraj < cpptrajin.in
>
> cat cpptrajin.in
>
> parm prmtop
> trajin mdrun.mdcrd
> trajout 8cbcm4_5odespBn_md2-boxg.pdb pdb append
>
>
> I do not get any box coordinates written to the pdb file
>
>
>
>
>
>
>
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Apr 20 2015 - 08:30:03 PDT
