AMBER Archive (2008)

Subject: Re: AMBER: Problem with "trajout pdb"

From: Yi-Ming Cheng (d90223013_at_ntu.edu.tw)
Date: Sat Feb 23 2008 - 03:36:24 CST

Hi Mr. Thomas:
   Thanks a lot for your concerning about my question.
Best Regards,
Yi-Ming Cheng

----- Forwarded message from tec3_at_utah.edu -----
     Date: Fri, 22 Feb 2008 22:06:28 -0700 (Mountain Standard Time)
     From: Thomas Cheatham <tec3_at_utah.edu>
Reply-To: Thomas Cheatham <tec3_at_utah.edu>
  Subject: Re: AMBER: Problem with "trajout pdb"
       To: Yi-Ming Cheng <d90223013_at_ntu.edu.tw>

> My question is that why 'END' cards between each coordinate are not
> automatically added with the PDB output when the 'append' option was chosen?
> The only solution I know so far is through shell script to add them manually.
> Any other suggestions or ideas will be much appreciated.

I fixed this; www.chpc.utah.edu/~cheatham/software.html and it will be in
the amber10 version of ptraj... When I added the "append" I didn't even
think about the MODEL/ENDMDL.

--tom

----- End forwarded message -----

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