[CP2K-user] [CP2K:18583] Problem about the unit of COORDINATION in wall POSITION section.
廉永健(lianyongjian)
j2277388097 at gmail.com
Wed Mar 29 08:08:15 UTC 2023
I am trying to get a reaction FES by metadynamic , and the CV is
two COORDINATION. I need to set some restrictions so as to achieve
reaction . So i read the section WALL in manual , i am confused about
the unit of COORDINATION in the wall POSITION section. The coordination
number should be unitless . How should I set up in wall POSITION section[image:
屏幕截图 2023-03-29 160748.png]
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