pairInteractionSelf

From: Yu Wang (wy0519_at_gmail.com)
Date: Fri Feb 10 2006 - 03:19:34 CST

Dear NAMD expert,
 
 I have some questions about pairInteractionSelf.
 
I have no problem with calculating the pair interaction with 2 groups.
But, when I tried to compute the energy within a group instead of
between 2 groups by setting the "pairInteractionSelf" option on, I
always got:
       
        FATAL ERROR: Bad global exclusion count!

Is there any specific option that I should setup in the .conf to make it
works?
(ex. pairInteraction off)

Thanks in advance!

Best Regards,


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