On Wed, Jan 28, 2015 at 2:21 AM, James Starlight <jmsstarlight.gmail.com> wrote:
> I wonder to ask whether it will possible to add simple shell scripting
> patterns within the cpptraj input files: for instance to define some simple
> variables or to add for and whole looping (what are especially would be
> useful if I try to proceed big number of trajectories).
In an ideal world where I have unlimited time/funding I would love to
add something like this. Unfortunately I don't see it happening in the
near future (at least I'm not going to promise it).
You can add multiple trajectories via 'trajin' using wildcard
characters ('*', '?'), e.g.
parm myparm.parm7
trajin traj.*.nc
Hope this is helpful,
-Dan
>
>
> Thanks for help,
>
>
> James
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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 Wed Jan 28 2015 - 08:30:04 PST
