Re: AMBER: trajectory alignment using ptraj

From: Thomas E. Cheatham, III <cheatham.chpc.utah.edu>
Date: Fri, 1 Apr 2005 10:47:30 -0700 (Mountain Standard Time)

> trajin MDtraj1 1 1000 100
> reference my_reference_snap
> trajout aligned_traj
> rms my_reference_snap out rms .P

The correct usage is

  rms reference out rms .P

which will use the most recently specified reference file (prior to the
rms command).


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Received on Fri Apr 01 2005 - 18:53:01 PST
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