Excluding interactions?

From: Charles Zhao (cicero225_at_yahoo.com)
Date: Thu Jan 14 2010 - 19:46:57 CST

I have heard from some people I have spoken to that it is possible to convince namd to ignore interactions between certain groups of atoms in a system (i.e. between peptide B and C, but not between B and A or C and A). This would in fact be quite useful to me. However, it seems like a vague idea, and they themselves do not remember clearly how it is done. I have not been able to find any documentation regarding anything like this. Is this indeed possible, or am I mistaken?


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