AMBER Archive (2006)

Subject: Re: AMBER: ptraj help - ERROR in readParm: ... failed to find CHARGE

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Fri Mar 31 2006 - 18:46:03 CST

> I am a novice of Amber and wondering if anyone can help me with this
> problem. It is a simple task to try to convert a list of Amber restart
> files to PDB format files using ptraj command. The OS is Linux (cluster)
> and it is Amber version 7. According to the manual the second argument
> following ptraj command should be a parameter/topology file. The problem
> happened after I specified a topology file:

Did you try using 'ambpdb' file? If that will work, a simple script can
be written and that can work to create the .pdb files. 

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
  - University of Rochester      -				-
  - Hutchison Hall, # B10        -				-
  - Rochester, NY 14627-0216     - Ph.:(585) 275 67 66 (Office)	-
  - http://www.pas.rochester.edu/~yildirim/			-
  ---------------------------------------------------------------

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