Re: removing water from big dcd files

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Wed Mar 04 2009 - 03:41:34 CST

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Hi Jose,

You can also use carma (I should add this to my .signature ;-) to both
remove waters and rotations/translations:

# carma -v -fit -atmid ALLID -segid A -segid B my.dcd my.psf

where the '-segid A -segid B ...' must match the SegIDs of the
macromolecular component.

Nicholas

-- 
             Dr Nicholas M. Glykos, Department of Molecular 
         Biology and Genetics, Democritus University of Thrace,
   University Campus, 68100 Alexandroupolis, Greece, Fax +302551030620
      Tel ++302551030620 (77620),  http://www.mbg.duth.gr/~glykos/

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