Hi,
On Fri, Aug 9, 2013 at 4:05 AM, Jan-Philip Gehrcke
<jgehrcke.googlemail.com> wrote:
> - I am surprised that the order of arguments specified on the command
> line matters. Currently, cpptraj -i inputfile -p prmtopfile is different
> from cpptraj -p prmtopfile -i inputfile.
Not as of version 13.12 - input files are now processed after all
other command-line flags.
> - In the AmberTools 13 manual in the cpptraj noxcol example
> 'datafile noxcol phipsi.dat' should be 'datafile phipsi.dat noxcol'.
That's right. This will be added to the AmberTools 13 manual errata
(
http://ambermd.org/doc12/). Thanks for the report.
-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 Fri Aug 09 2013 - 08:00:03 PDT
