On naming rules in force-field parameter files?

From: He Yuhui (yuhuihe_at_ime.pku.edu.cn)
Date: Sun Aug 09 2009 - 20:12:21 CDT

Dear all,

   I am doing some research on DNA and gold electrode systems. When
generating psf files, I set 12 types of Au atoms according to their bond
numbers. That is, Au_1, Au_2, ..., Au_12.

   However, it will be very tedious when I modify the CHARMM force-field
parameter files, e.g., I have to write about 12*11*10/(3*2) lines on
   Au_1 Au_2 Au_3 ... ...
   Au_1 Au_2 Au_4 ... ...

   So I wonder whether I can write just one line with an asterisk
   Au_* Au_* Au_* ... ...

   Thanks and Regards!


Dr. Yuhui He(何毓辉)
Institute of Microelectronics, Chinese Academy of Sciences
Beijing 100029, China

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