Re: removing water from big dcd files

From: Nicholas M Glykos (
Date: Wed Mar 04 2009 - 03:41:34 CST

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.


             Dr Nicholas M. Glykos, Department of Molecular 
         Biology and Genetics, Democritus University of Thrace,
   University Campus, 68100 Alexandroupolis, Greece, Fax +302551030620
      Tel ++302551030620 (77620),

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:26 CST