[gmx-users] au virtual atom

fatemeh ramezani fr_750 at yahoo.com
Mon Sep 3 08:45:39 CEST 2012


 
Thanks for your response, but 
I've read the manual. What I realized is that, for example, I should consider for every two, three or … atoms, a virtual atom. Here are some questions:
 1 - Does not important consider which atoms together? or How much is the angle between atoms?
 2 -Does I need to manually sort atoms and consider for every group a virtual site? 
thanks
ramezani

Fatemeh Ramezani


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