choose a certain site as site injection in KMC

[zhuhong李]

Hello, VOTCA users:

  

       I’m interesting in choosing a certain molecule as a site injection in KMC. The manual also says that name pattern that specifies on which sites injection is possible.

   I have checked that the column ‘name’ in the table ‘segments’ of the state file all are ‘TPBI’. But what should I use instead of * in the option.xml file, and I assume that 

   the first molecule is selected as the injection point .

   

  Thank you for your help!

   ZhuHong.Li

[Denis Andrienko]

What KMC calculator are you using?

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[zhuhong李]

I use the kmcmultiple.

On Wednesday, May 15, 2019 at 3:17:12 PM UTC+8, Denis Andrienko wrote:

What KMC calculator are you using?

On Wed, May 15, 2019, 09:11 zhuhong李 <foreve...@163.com> wrote:

Hello, VOTCA users:

  

       I’m interesting in choosing a certain molecule as a site injection in KMC. The manual also says that name pattern that specifies on which sites injection is possible.

   I have checked that the column ‘name’ in the table ‘segments’ of the state file all are ‘TPBI’. But what should I use instead of * in the option.xml file, and I assume that 

   the first molecule is selected as the injection point .

   

  Thank you for your help!

   ZhuHong.Li

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