[AMBER] The latest topology file format.

From: Takeshi Baba <tbaba.cheng.es.osaka-u.ac.jp>
Date: Tue, 9 Apr 2013 21:56:58 +0900

Dear Amber Developer

I have a problem about topology file.

I prepared the two topology file.

One was created by Ambertool1.1 (for Amber8,9 ?)
The other was created by AmberTool12

After preparing two file, I put following command to check the file format.

"grep "%" topology file name"

As a result, I got two files.




I compare the two files and I found that "grep_AmberTool12 contains more information than "grep_AmberTool1.1".

So I also check the format by the web site (http://ambermd.org/formats.html)

However, some information (for example ATOMIC_NUMBER) is not clear on the web site.

I would like to know the latest file format of topology to check the information.

I would appreciate it if you could give me the latest information of file format.
  
Sincerely

Takeshi Baba
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   Takeshi Baba
Division of Chemical Engineering,
Department of Materials Engineering Science,
Graduate School of Engineering Science,
Osaka University, Toyonaka, Osaka 560-8531, JAPAN
Tel: +81-6-6850-6266, Fax: +81-6-6850-6268
E-mail: tbaba.cheng.es.osaka-u.ac.jp
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Received on Tue Apr 09 2013 - 06:00:03 PDT
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