The output format should have no effect on any actions whatsoever. I cannot
reproduce this behavior. Could you send the exact cpptraj input you are
using, as well as the version?
-Dan
On Monday, August 29, 2016, Filip Persson <filip.persson.bpc.lu.se> wrote:
> Dear Amber users!
> I noticed that the autoimage routine in cpptraj produce inconsistent
> results depening on the trajout file format; when writing output in the
> (binary) trajectory format netcdf (.nc) I get the correct centering and
> imaging of my system, but not when using the Amber trajectory format
> (.crd). My input files are in default (.crd) Amber trajectory file
> format. Is this a bug in cpptraj?
>
>
> Best regards,
> Filip
>
>
> Filip Persson, PhD student
> Biophysical Chemistry
> Lund University, Sweden
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org <javascript:;>
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
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)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 31 2016 - 06:30:04 PDT
