From: ying xiong (yxiong_at_mail.ccnu.edu.cn)
Date: Thu Jul 01 2004 - 01:57:18 CDT
Dear sir,
If I want to calculate the coodination number of some atom for each picosecond (or frame), could you please tell me how to write a script to realize it? Of course, the coordination number of A atom can be calculated with the criterion: if the distance between A and an atom is shorter than a distance value (say 2.2, 2.3 or 2.4 or 2.5 angstrom), then we can consider the atom coordinating to A.
Thanks !
ying xiong
yxiong_at_mail.ccnu.edu.cn
2004-07-01
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