Hi,
There are some issues with your input; hopefully cpptraj at least gave
you some Warnings and/or Errors; let me know if this is not the case.
On Mon, Jan 21, 2013 at 9:41 AM, HM <scienceamber.gmail.com> wrote:
> rmsd2d first rmsout test.2drms.gnu .C,CA,N time 1
The command is either 'rms2d' or '2drms'. Since 2drms takes the rms of
every structure to every other structure, specifying a reference
('first') doesn't mean anything. Also, your mask is incorrect; you
need a '.' to select atoms, not '.', so the command should look like:
2drms rmsout test.2drms.gnu .C,CA,N
-Dan
>
> But there is no output . :-(
>
> Thanks,
> HM
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--
-------------------------
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 Mon Jan 21 2013 - 09:00:03 PST
