AMBER Archive (2008)

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

From: Yi-Ming Cheng (d90223013_at_ntu.edu.tw)
Date: Sat Feb 23 2008 - 04:15:29 CST

Hi, Prof. Thomas:
Sorry to disturb you. I just found that the workaround cannot
perfectly fix the problem in my case. The ENDMDL cards does not appear
at every place where they should be. Again, thanks for your help.
Sincerely,
Yi-Ming Cheng

----- Forwarded message from d90223013_at_ntu.edu.tw -----
     Date: Sat, 23 Feb 2008 17:36:24 +0800
     From: Yi-Ming Cheng <d90223013_at_ntu.edu.tw>
Reply-To: amber_at_scripps.edu
  Subject: Re: AMBER: Problem with "trajout pdb"
       To: "amber_at_scripps.edu" <amber_at_scripps.edu>

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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