[gmx-users] Priority of [ pairs ] and nrexcl?

Hu Zhongqiao zhongqiao_hu at nus.edu.sg
Thu Mar 1 11:50:12 CET 2007

Dear all,

I am asking a question about pairs and nrexcle. Although I searched the
list, I can not get a clear answer.

According to my understanding, if I set nrexcl =3, 1-4 interactions will
be excluded. But, if I set nrexcl=3 and define some pairs at the same
time, the Gmx will consider which one with higher priority?

Thanks in advance,


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