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

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Fri, 31 Mar 2006 19:46:03 -0500 (EST)

> 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       -				-
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Received on Sun Apr 02 2006 - 06:10:17 PDT
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