AMBER Archive (2004)

Subject: Re: AMBER: What does this error message mean?

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Tue Feb 03 2004 - 10:30:56 CST

I would recommend using ptraj to do the transformation.

  ----- Original Message -----
  From: nie beining
  To: amber_at_scripps.edu
  Sent: Tuesday, February 03, 2004 10:58 AM
  Subject: AMBER: What does this error message mean?

  Dear Amber users,

        Our system contains one protein molecule and ions in a rectangular box containing 4000 water molecules. We ran Sander for a few nanoseconds and found that the coodinates of our system were migrating. Therefore, we wrote a small Fortran code to transform coordinates back into a box. However, some mdcrd files gave me the following error message and others worked well.
    
  "fmt: read unexpected character
  apparent state: unit 1 named mdcrd.transtest2
  last format: (10F8.3)
  lately reading sequential formatted external IO
  Abort (core dumped)"

  What does it mean? I checked the mdcrd files for some "unexpected character" and didn't find any. Are there any Amber users who have encountered this strange problem?
  Would you please give me some suggestions? Thanks a lot!

  regards,
  Beining

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