About Restart

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Thu May 05 2005 - 18:50:52 CDT

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Hi all. I saved the output of a simulation by output.coor and output.vel.
      I rewrote the restart configuration file like
 
" coordinates output.coor
  ...
  velocities output.vel"
 
And I ran the configuration file as to restart from the last output.coor and output.vel condition.
  
    But namd said that "atoms in the pdb file and psf file are not the same!"
    Has anyone done this before and any experience?
    Thanks for your time and consideration!
 
Boyang
Univ Illinois , Chicago

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