amber-developers: PTRAJ and principal

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Thu, 20 Sep 2007 12:42:30 -0400 (EDT)

Dear All,

The ptraj command 'principal' is to align the conformations in the
specified mask. Can the ptraj commands 'principal' and 'rms' be used
together? The manual implies that it is possible, but after
spending 2-3 hrs, I could not make it work. Thanks. 

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  = Department of Chemistry      -                              =
  = University of Rochester      -                              =
  = Rochester, NY 14627-0216     - Ph.:(585) 275 67 66 (Office) =
  = http://www.pas.rochester.edu/~yildirim/                     =
  ---------------------------------------------------------------
Received on Sun Sep 23 2007 - 06:07:29 PDT
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