Hi,
On Tue, Feb 5, 2013 at 12:28 PM, HM <scienceamber.gmail.com> wrote:
> I am trying:
> trajin ../nowat12ns.mdcrd
> autoimage
> rms first out activesite.dat :377<:5.0
>
> selectDistd(): No coordinate info for distance operator.
As I said, distance-based mask parsing requires a reference structure
(even if you don't use it in the RMS calc). Try:
reference ../nowat12ns.mdcrd 1 # Use first frame as ref for dist-based
mask parse
trajin ../nowat12ns.mdcrd
autoimage
rms first out activesite.dat :377<:5.0
-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 Tue Feb 05 2013 - 14:30:02 PST
