AMBER Archive (2005)

Subject: Re: AMBER: trajectory alignment using ptraj

From: Thomas E. Cheatham, III (cheatham_at_chpc.utah.edu)
Date: Fri Apr 01 2005 - 11:47:30 CST

> 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).

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu